PLUMED-NEST

Project ID: plumID:20.029
Source: E2F1-DP1_PLUMED-NEST/MULTI_REPLICA/plumed-main.dat
Originally used with PLUMED version: 2.6
Stable: zipped raw stdout - zipped raw stderr - stderr
Master: zipped raw stdout - zipped raw stderr - stderr

Click on the labels of the actions for more information on what each action computes

#SETTINGS NATOMS=303032
#MOLINFO STRUCTURE=../aacg.pdb use this with gromacs
#INCLUDE FILE=../plumed_beads.dat
#INCLUDE FILE=../plumed-restraints.dat 
#INCLUDE FILE=../plumed-SAXS_12q.dat

MOLINFO
This command is used to provide information on the molecules that are present in your system. More details
 
STRUCTURE
a file in pdb format containing a reference structure
=aacg.pdb
WHOLEMOLECULES
This action is used to rebuild molecules that can become split by the periodic boundary conditions. More details
 
ENTITY0
the atoms that make up a molecule that you wish to align
=1-2885,2885-1712:-1,6605-6945,6945-2886:-1,2886-3812,6946-7896

INCLUDE
Includes an external input file, similar to #include in C preprocessor. More details. Show included file
 
FILE
file to be included
=plumed_beads.dat
# The command:
# INCLUDE FILE=plumed_beads.dat
# ensures PLUMED loads the contents of the file called plumed_beads.dat
# The contents of this file are shown below (click the red comment to hide them).
bead1: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1,2,3,4,5,18,19 
WEIGHTS
Center is computed as a weighted average
=14,1,1,1,12,12,16
bead2: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7,10,13,14 
WEIGHTS
Center is computed as a weighted average
=12,12,32,12
bead3: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=20,21,22,29,30 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead4: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=24,27,28 
WEIGHTS
Center is computed as a weighted average
=12,16,1
bead5: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=31,41,43,44 
WEIGHTS
Center is computed as a weighted average
=14,12,12,16
bead6: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=32,35,38 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead7: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=45,46,47,50,51 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead8: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=52,53,54,65,66 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead9: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=56,59,62,63,64 
WEIGHTS
Center is computed as a weighted average
=12,12,12,16,16
bead10: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=67,68,69,87,88 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead11: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=71,74,77 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead12: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=80,83,84,85,86 
WEIGHTS
Center is computed as a weighted average
=12,14,1,1,1
bead13: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=89,90,91,98,99 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead14: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=93,96,97 
WEIGHTS
Center is computed as a weighted average
=12,16,1
bead15: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=100,101,102,122,123 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead16: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=104,107,110 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead17: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=113,114,115,116,119 
WEIGHTS
Center is computed as a weighted average
=14,1,12,14,14
bead18: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=124,125,126,143,144 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead19: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=128,131,132,133 
WEIGHTS
Center is computed as a weighted average
=12,12,12,1
bead20: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=139,140,141,142 
WEIGHTS
Center is computed as a weighted average
=12,1,12,1
bead21: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=134,135,136,137,138 
WEIGHTS
Center is computed as a weighted average
=12,1,12,16,1
bead22: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=145,146,147,158,159 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead23: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=149,152,155,156,157 
WEIGHTS
Center is computed as a weighted average
=12,12,12,16,16
bead24: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=160,161,162,172,173 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead25: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=164,166,170,171 
WEIGHTS
Center is computed as a weighted average
=12,12,16,1
bead26: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=174,175,176,183,184 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead27: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=178,181,182 
WEIGHTS
Center is computed as a weighted average
=12,16,1
bead28: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=185,186,187,202,203 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead29: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=189,192,194,198 
WEIGHTS
Center is computed as a weighted average
=12,12,12,12
bead30: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=204,205,206,216,217 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead31: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=208,211,212,213 
WEIGHTS
Center is computed as a weighted average
=12,12,16,14
bead32: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=218,219,220,235,236 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead33: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=222,225,227,231 
WEIGHTS
Center is computed as a weighted average
=12,12,12,12
bead34: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=237,238,239,249,250 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead35: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=241,243,247,248 
WEIGHTS
Center is computed as a weighted average
=12,12,16,1
bead36: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=251,252,253,263,264 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead37: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=255,257,261,262 
WEIGHTS
Center is computed as a weighted average
=12,12,16,1
bead38: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=265,266,267,285,286 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead39: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=269,272,275 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead40: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=278,281,282,283,284 
WEIGHTS
Center is computed as a weighted average
=12,14,1,1,1
bead41: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=287,288,289,309,310 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead42: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=291,294,297 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead43: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=300,301,302,303,306 
WEIGHTS
Center is computed as a weighted average
=14,1,12,14,14
bead44: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=311,312,313,329,330 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead45: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=315,318,319,320 
WEIGHTS
Center is computed as a weighted average
=12,12,12,1
bead46: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=325,326,327,328 
WEIGHTS
Center is computed as a weighted average
=12,1,12,1
bead47: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=321,322,323,324 
WEIGHTS
Center is computed as a weighted average
=12,1,12,1
bead48: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=331,332,333,348,349 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead49: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=335,338,340,344 
WEIGHTS
Center is computed as a weighted average
=12,12,12,12
bead50: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=350,351,352,363,364 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead51: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=354,357,360,361,362 
WEIGHTS
Center is computed as a weighted average
=12,12,12,16,16
bead52: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=365,366,367,382,383 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead53: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=369,372,374,378 
WEIGHTS
Center is computed as a weighted average
=12,12,12,12
bead54: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=384,385,386,401,402 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead55: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=388,391,393,397 
WEIGHTS
Center is computed as a weighted average
=12,12,12,12
bead56: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=403,404,405,412,413 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead57: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=407,410,411 
WEIGHTS
Center is computed as a weighted average
=12,16,1
bead58: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=414,415,416,429,430 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead59: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=418,421 
WEIGHTS
Center is computed as a weighted average
=12,12
bead60: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=425,426,427,428 
WEIGHTS
Center is computed as a weighted average
=14,1,12,1
bead61: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=422,423,424 
WEIGHTS
Center is computed as a weighted average
=14,12,1
bead62: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=431,432,433,440,441 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead63: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=435,438,439 
WEIGHTS
Center is computed as a weighted average
=12,16,1
bead64: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=442,443,444,446,450,451 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,12,16
bead65: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=452,453,454,462,463 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead66: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=456,459,460,461 
WEIGHTS
Center is computed as a weighted average
=12,12,16,16
bead67: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=464,465,466,469,470 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead68: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=471,472,473,485,486 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead69: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=475,477,481 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead70: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=487,488,489,501,502 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead71: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=491,493,497 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead72: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=503,504,505,513,514 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead73: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=507,510,511,512 
WEIGHTS
Center is computed as a weighted average
=12,12,16,16
bead74: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=515,516,517,532,533 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead75: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=519,522,524,528 
WEIGHTS
Center is computed as a weighted average
=12,12,12,12
bead76: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=534,535,536,546,547 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead77: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=538,541,542,543 
WEIGHTS
Center is computed as a weighted average
=12,12,16,14
bead78: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=548,549,550,570,571 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead79: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=552,555,569 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead80: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=556,557,558,559,560 
WEIGHTS
Center is computed as a weighted average
=12,1,14,1,12
bead81: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=565,566,567,568 
WEIGHTS
Center is computed as a weighted average
=12,1,12,1
bead82: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=561,562,563,564 
WEIGHTS
Center is computed as a weighted average
=12,1,12,1
bead83: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=572,573,574,576,580,581 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,12,16
bead84: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=582,583,584,586,590,591 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,12,16
bead85: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=592,593,594,605,606 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead86: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=596,599,602,603,604 
WEIGHTS
Center is computed as a weighted average
=12,12,12,16,16
bead87: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=607,608,609,621,622 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead88: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=611,613,617 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead89: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=623,624,625,640,641 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead90: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=627,630,632,636 
WEIGHTS
Center is computed as a weighted average
=12,12,12,12
bead91: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=642,643,644,662,663 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead92: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=646,649,652 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead93: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=655,658,659,660,661 
WEIGHTS
Center is computed as a weighted average
=12,14,1,1,1
bead94: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=664,665,666,678,679 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead95: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=668,670,674 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead96: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=680,681,682,695,696 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead97: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=684,687,690,691,692 
WEIGHTS
Center is computed as a weighted average
=12,12,12,16,14
bead98: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=697,698,699,717,718 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead99: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=701,704,707 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead100: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=710,713,714,715,716 
WEIGHTS
Center is computed as a weighted average
=12,14,1,1,1
bead101: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=719,720,721,741,742 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead102: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=723,726,729 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead103: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=732,733,734,735,738 
WEIGHTS
Center is computed as a weighted average
=14,1,12,14,14
bead104: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=743,744,745,765,766 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead105: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=747,750,753 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead106: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=756,757,758,759,762 
WEIGHTS
Center is computed as a weighted average
=14,1,12,14,14
bead107: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=767,768,769,784,785 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead108: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=771,773,777,780 
WEIGHTS
Center is computed as a weighted average
=12,12,12,12
bead109: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=786,787,788,805,806 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead110: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=790,793,794,795 
WEIGHTS
Center is computed as a weighted average
=12,12,12,1
bead111: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=801,802,803,804 
WEIGHTS
Center is computed as a weighted average
=12,1,12,1
bead112: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=796,797,798,799,800 
WEIGHTS
Center is computed as a weighted average
=12,1,12,16,1
bead113: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=807,808,809,817,818 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead114: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=811,814,815,816 
WEIGHTS
Center is computed as a weighted average
=12,12,16,16
bead115: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=819,820,821,836,837 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead116: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=823,825,829,832 
WEIGHTS
Center is computed as a weighted average
=12,12,12,12
bead117: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=838,839,840,850,851 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead118: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=842,844,848,849 
WEIGHTS
Center is computed as a weighted average
=12,12,16,1
bead119: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=852,853,854,864,865 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead120: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=856,859,860,861 
WEIGHTS
Center is computed as a weighted average
=12,12,16,14
bead121: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=866,867,868,880,881 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead122: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=870,872,876 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead123: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=882,883,884,899,900 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead124: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=886,889,891,895 
WEIGHTS
Center is computed as a weighted average
=12,12,12,12
bead125: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=901,902,903,914,915 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead126: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=905,908,911,912,913 
WEIGHTS
Center is computed as a weighted average
=12,12,12,16,16
bead127: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=916,917,918,921,922 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead128: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=923,924,925,940,941 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead129: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=927,929,933,936 
WEIGHTS
Center is computed as a weighted average
=12,12,12,12
bead130: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=942,943,944,957,958 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead131: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=946,949,952,953,954 
WEIGHTS
Center is computed as a weighted average
=12,12,12,16,14
bead132: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=959,960,961,976,977 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead133: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=963,966,968,972 
WEIGHTS
Center is computed as a weighted average
=12,12,12,12
bead134: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=978,979,980,995,996 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead135: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=982,984,988,991 
WEIGHTS
Center is computed as a weighted average
=12,12,12,12
bead136: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=997,998,999,1001,1005,1006 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,12,16
bead137: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1007,1008,1009,1027,1028 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead138: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1011,1014,1017 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead139: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1020,1023,1024,1025,1026 
WEIGHTS
Center is computed as a weighted average
=12,14,1,1,1
bead140: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1029,1030,1031,1049,1050 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead141: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1033,1036,1039 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead142: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1042,1045,1046,1047,1048 
WEIGHTS
Center is computed as a weighted average
=12,14,1,1,1
bead143: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1051,1052,1053,1060,1061 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead144: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1055,1058,1059 
WEIGHTS
Center is computed as a weighted average
=12,16,1
bead145: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1062,1063,1064,1082,1083 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead146: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1066,1069,1072 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead147: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1075,1078,1079,1080,1081 
WEIGHTS
Center is computed as a weighted average
=12,14,1,1,1
bead148: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1084,1085,1086,1096,1097 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead149: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1088,1091,1092,1093 
WEIGHTS
Center is computed as a weighted average
=12,12,16,14
bead150: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1098,1099,1100,1113,1114 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead151: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1102,1105 
WEIGHTS
Center is computed as a weighted average
=12,12
bead152: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1109,1110,1111,1112 
WEIGHTS
Center is computed as a weighted average
=14,1,12,1
bead153: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1106,1107,1108 
WEIGHTS
Center is computed as a weighted average
=14,12,1
bead154: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1115,1116,1117,1132,1133 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead155: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1119,1121,1125,1128 
WEIGHTS
Center is computed as a weighted average
=12,12,12,12
bead156: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1134,1135,1136,1149,1150 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead157: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1138,1141,1144,1145,1146 
WEIGHTS
Center is computed as a weighted average
=12,12,12,16,14
bead158: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1151,1152,1153,1173,1174 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead159: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1155,1158,1172 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead160: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1159,1160,1161,1162,1163 
WEIGHTS
Center is computed as a weighted average
=12,1,14,1,12
bead161: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1168,1169,1170,1171 
WEIGHTS
Center is computed as a weighted average
=12,1,12,1
bead162: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1164,1165,1166,1167 
WEIGHTS
Center is computed as a weighted average
=12,1,12,1
bead163: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1175,1176,1177,1192,1193 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead164: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1179,1182,1184,1188 
WEIGHTS
Center is computed as a weighted average
=12,12,12,12
bead165: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1194,1195,1196,1199,1200 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead166: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1201,1202,1203,1210,1211 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead167: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1205,1208,1209 
WEIGHTS
Center is computed as a weighted average
=12,16,1
bead168: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1212,1213,1214,1227,1228 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead169: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1216,1219 
WEIGHTS
Center is computed as a weighted average
=12,12
bead170: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1223,1224,1225,1226 
WEIGHTS
Center is computed as a weighted average
=14,1,12,1
bead171: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1220,1221,1222 
WEIGHTS
Center is computed as a weighted average
=14,12,1
bead172: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1229,1230,1231,1241,1242 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead173: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1233,1235,1239,1240 
WEIGHTS
Center is computed as a weighted average
=12,12,16,1
bead174: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1243,1244,1245,1255,1256 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead175: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1247,1249,1253,1254 
WEIGHTS
Center is computed as a weighted average
=12,12,16,1
bead176: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1257,1258,1259,1271,1272 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead177: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1261,1263,1267 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead178: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1273,1274,1275,1278,1279 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead179: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1280,1281,1282,1294,1295 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead180: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1284,1286,1290 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead181: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1296,1297,1298,1301,1302 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead182: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1303,1304,1305,1308,1309 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead183: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1310,1311,1312,1332,1333 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead184: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1314,1317,1320 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead185: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1323,1324,1325,1326,1329 
WEIGHTS
Center is computed as a weighted average
=14,1,12,14,14
bead186: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1334,1335,1336,1351,1352 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead187: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1338,1341,1343,1347 
WEIGHTS
Center is computed as a weighted average
=12,12,12,12
bead188: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1353,1354,1355,1366,1367 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead189: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1357,1360,1363,1364,1365 
WEIGHTS
Center is computed as a weighted average
=12,12,12,16,16
bead190: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1368,1369,1370,1373,1374 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead191: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1375,1376,1377,1392,1393 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead192: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1379,1382,1384,1388 
WEIGHTS
Center is computed as a weighted average
=12,12,12,12
bead193: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1394,1395,1396,1406,1407 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead194: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1398,1400,1404,1405 
WEIGHTS
Center is computed as a weighted average
=12,12,16,1
bead195: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1408,1409,1410,1423,1424 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead196: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1412,1415,1418,1419,1420 
WEIGHTS
Center is computed as a weighted average
=12,12,12,16,14
bead197: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1425,1426,1427,1435,1436 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead198: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1429,1432,1433,1434 
WEIGHTS
Center is computed as a weighted average
=12,12,16,16
bead199: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1437,1438,1439,1454,1455 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead200: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1441,1444,1446,1450 
WEIGHTS
Center is computed as a weighted average
=12,12,12,12
bead201: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1456,1457,1458,1478,1479 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead202: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1460,1463,1466 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead203: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1469,1470,1471,1472,1475 
WEIGHTS
Center is computed as a weighted average
=14,1,12,14,14
bead204: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1480,1481,1482,1495,1496 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead205: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1484,1487,1490,1491,1492 
WEIGHTS
Center is computed as a weighted average
=12,12,12,16,14
bead206: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1497,1498,1499,1514,1515 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead207: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1501,1504,1506,1510 
WEIGHTS
Center is computed as a weighted average
=12,12,12,12
bead208: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1516,1517,1518,1531,1532 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead209: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1520,1523,1526,1527,1528 
WEIGHTS
Center is computed as a weighted average
=12,12,12,16,14
bead210: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1533,1534,1535,1546,1547 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead211: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1537,1540,1543,1544,1545 
WEIGHTS
Center is computed as a weighted average
=12,12,12,16,16
bead212: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1548,1549,1550,1557,1558 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead213: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1552,1555,1556 
WEIGHTS
Center is computed as a weighted average
=12,16,1
bead214: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1559,1560,1561,1572,1573 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead215: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1563,1566,1569,1570,1571 
WEIGHTS
Center is computed as a weighted average
=12,12,12,16,16
bead216: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1574,1575,1576,1589,1590 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead217: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1578,1581,1584,1585,1586 
WEIGHTS
Center is computed as a weighted average
=12,12,12,16,14
bead218: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1591,1592,1593,1606,1607 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead219: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1595,1598,1601,1602,1603 
WEIGHTS
Center is computed as a weighted average
=12,12,12,16,14
bead220: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1608,1609,1610,1625,1626 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead221: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1612,1615,1617,1621 
WEIGHTS
Center is computed as a weighted average
=12,12,12,12
bead222: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1627,1628,1629,1637,1638 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead223: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1631,1634,1635,1636 
WEIGHTS
Center is computed as a weighted average
=12,12,16,16
bead224: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1639,1640,1641,1654,1655 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead225: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1643,1646 
WEIGHTS
Center is computed as a weighted average
=12,12
bead226: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1650,1651,1652,1653 
WEIGHTS
Center is computed as a weighted average
=14,1,12,1
bead227: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1647,1648,1649 
WEIGHTS
Center is computed as a weighted average
=14,12,1
bead228: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1656,1657,1658,1673,1674 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead229: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1660,1663,1665,1669 
WEIGHTS
Center is computed as a weighted average
=12,12,12,12
bead230: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1675,1676,1677,1690,1691 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead231: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1679,1682,1685,1686 
WEIGHTS
Center is computed as a weighted average
=12,12,32,12
bead232: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1692,1693,1694,1704,1705 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead233: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1696,1699,1700,1701 
WEIGHTS
Center is computed as a weighted average
=12,12,16,14
bead234: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1706,1707,1708,1723,1724 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead235: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1710,1712,1716,1719 
WEIGHTS
Center is computed as a weighted average
=12,12,12,12
bead236: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1725,1726,1727,1734,1735 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead237: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1729,1732 
WEIGHTS
Center is computed as a weighted average
=12,32
bead238: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1736,1737,1738,1748,1749 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead239: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1740,1742,1746,1747 
WEIGHTS
Center is computed as a weighted average
=12,12,16,1
bead240: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1750,1751,1752,1762,1763 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead241: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1754,1756,1760,1761 
WEIGHTS
Center is computed as a weighted average
=12,12,16,1
bead242: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1764,1765,1766,1779,1780 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead243: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1768,1771,1774,1775,1776 
WEIGHTS
Center is computed as a weighted average
=12,12,12,16,14
bead244: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1781,1782,1783,1798,1799 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead245: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1785,1788,1790,1794 
WEIGHTS
Center is computed as a weighted average
=12,12,12,12
bead246: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1800,1801,1802,1822,1823 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead247: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1804,1807,1810 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead248: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1813,1814,1815,1816,1819 
WEIGHTS
Center is computed as a weighted average
=14,1,12,14,14
bead249: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1824,1825,1826,1841,1842 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead250: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1828,1831,1833,1837 
WEIGHTS
Center is computed as a weighted average
=12,12,12,12
bead251: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1843,1844,1845,1860,1861 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead252: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1847,1850,1852,1856 
WEIGHTS
Center is computed as a weighted average
=12,12,12,12
bead253: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1862,1863,1864,1871,1872 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead254: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1866,1869,1870 
WEIGHTS
Center is computed as a weighted average
=12,16,1
bead255: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1873,1874,1875,1886,1887 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead256: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1877,1880,1883,1884,1885 
WEIGHTS
Center is computed as a weighted average
=12,12,12,16,16
bead257: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1888,1889,1890,1898,1899 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead258: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1892,1895,1896,1897 
WEIGHTS
Center is computed as a weighted average
=12,12,16,16
bead259: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1900,1901,1902,1912,1913 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead260: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1904,1906,1910,1911 
WEIGHTS
Center is computed as a weighted average
=12,12,16,1
bead261: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1914,1915,1916,1924,1925 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead262: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1918,1921,1922,1923 
WEIGHTS
Center is computed as a weighted average
=12,12,16,16
bead263: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1926,1927,1928,1935,1936 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead264: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1930,1933,1934 
WEIGHTS
Center is computed as a weighted average
=12,16,1
bead265: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1937,1938,1939,1952,1953 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead266: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1941,1944,1947,1948,1949 
WEIGHTS
Center is computed as a weighted average
=12,12,12,16,14
bead267: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1954,1955,1956,1976,1977 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead268: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1958,1961,1964 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead269: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1967,1968,1969,1970,1973 
WEIGHTS
Center is computed as a weighted average
=14,1,12,14,14
bead270: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1978,1979,1980,1995,1996 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead271: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1982,1985,1987,1991 
WEIGHTS
Center is computed as a weighted average
=12,12,12,12
bead272: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=1997,1998,1999,2001,2005,2006 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,12,16
bead273: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2007,2008,2009,2026,2027 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead274: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2011,2014,2015,2016 
WEIGHTS
Center is computed as a weighted average
=12,12,12,1
bead275: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2022,2023,2024,2025 
WEIGHTS
Center is computed as a weighted average
=12,1,12,1
bead276: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2017,2018,2019,2020,2021 
WEIGHTS
Center is computed as a weighted average
=12,1,12,16,1
bead277: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2028,2029,2030,2042,2043 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead278: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2032,2034,2038 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead279: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2044,2045,2046,2056,2057 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead280: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2048,2050,2054,2055 
WEIGHTS
Center is computed as a weighted average
=12,12,16,1
bead281: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2058,2059,2060,2067,2068 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead282: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2062,2065 
WEIGHTS
Center is computed as a weighted average
=12,32
bead283: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2069,2070,2071,2084,2085 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead284: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2073,2076,2079,2080,2081 
WEIGHTS
Center is computed as a weighted average
=12,12,12,16,14
bead285: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2086,2087,2088,2096,2097 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead286: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2090,2093,2094,2095 
WEIGHTS
Center is computed as a weighted average
=12,12,16,16
bead287: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2098,2099,2100,2115,2116 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead288: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2102,2105,2107,2111 
WEIGHTS
Center is computed as a weighted average
=12,12,12,12
bead289: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2117,2118,2119,2139,2140 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead290: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2121,2124,2127 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead291: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2130,2131,2132,2133,2136 
WEIGHTS
Center is computed as a weighted average
=14,1,12,14,14
bead292: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2141,2142,2143,2150,2151 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead293: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2145,2148,2149 
WEIGHTS
Center is computed as a weighted average
=12,16,1
bead294: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2152,2153,2154,2169,2170 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead295: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2156,2158,2162,2165 
WEIGHTS
Center is computed as a weighted average
=12,12,12,12
bead296: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2171,2172,2173,2175,2179,2180 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,12,16
bead297: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2181,2182,2183,2191,2192 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead298: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2185,2188,2189,2190 
WEIGHTS
Center is computed as a weighted average
=12,12,16,16
bead299: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2193,2203,2205,2206 
WEIGHTS
Center is computed as a weighted average
=14,12,12,16
bead300: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2194,2197,2200 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead301: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2207,2208,2209,2211,2215,2216 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,12,16
bead302: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2217,2218,2219,2230,2231 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead303: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2221,2224,2227,2228,2229 
WEIGHTS
Center is computed as a weighted average
=12,12,12,16,16
bead304: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2232,2233,2234,2247,2248 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead305: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2236,2239,2242,2243,2244 
WEIGHTS
Center is computed as a weighted average
=12,12,12,16,14
bead306: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2249,2250,2251,2264,2265 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead307: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2253,2256,2259,2260 
WEIGHTS
Center is computed as a weighted average
=12,12,32,12
bead308: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2266,2267,2268,2280,2281 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead309: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2270,2272,2276 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead310: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2282,2283,2284,2297,2298 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead311: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2286,2289,2292,2293 
WEIGHTS
Center is computed as a weighted average
=12,12,32,12
bead312: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2299,2300,2301,2313,2314 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead313: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2303,2305,2309 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead314: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2315,2316,2317,2332,2333 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead315: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2319,2321,2325,2328 
WEIGHTS
Center is computed as a weighted average
=12,12,12,12
bead316: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2334,2335,2336,2354,2355 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead317: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2338,2341,2344 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead318: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2347,2350,2351,2352,2353 
WEIGHTS
Center is computed as a weighted average
=12,14,1,1,1
bead319: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2356,2357,2358,2360,2364,2365 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,12,16
bead320: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2366,2376,2378,2379 
WEIGHTS
Center is computed as a weighted average
=14,12,12,16
bead321: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2367,2370,2373 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead322: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2380,2390,2392,2393 
WEIGHTS
Center is computed as a weighted average
=14,12,12,16
bead323: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2381,2384,2387 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead324: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2394,2395,2396,2407,2408 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead325: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2398,2401,2404,2405,2406 
WEIGHTS
Center is computed as a weighted average
=12,12,12,16,16
bead326: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2409,2410,2411,2421,2422 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead327: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2413,2415,2419,2420 
WEIGHTS
Center is computed as a weighted average
=12,12,16,1
bead328: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2423,2424,2425,2438,2439 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead329: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2427,2430,2433,2434,2435 
WEIGHTS
Center is computed as a weighted average
=12,12,12,16,14
bead330: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2440,2441,2442,2457,2458 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead331: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2444,2447,2449,2453 
WEIGHTS
Center is computed as a weighted average
=12,12,12,12
bead332: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2459,2460,2461,2474,2475 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead333: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2463,2466,2469,2470,2471 
WEIGHTS
Center is computed as a weighted average
=12,12,12,16,14
bead334: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2476,2477,2478,2480,2484,2485 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,12,16
bead335: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2486,2487,2488,2500,2501 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead336: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2490,2492,2496 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead337: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2502,2503,2504,2512,2513 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead338: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2506,2509,2510,2511 
WEIGHTS
Center is computed as a weighted average
=12,12,16,16
bead339: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2514,2515,2516,2523,2524 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead340: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2518,2521,2522 
WEIGHTS
Center is computed as a weighted average
=12,16,1
bead341: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2525,2526,2527,2534,2535 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead342: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2529,2532,2533 
WEIGHTS
Center is computed as a weighted average
=12,16,1
bead343: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2536,2537,2538,2549,2550 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead344: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2540,2543,2546,2547,2548 
WEIGHTS
Center is computed as a weighted average
=12,12,12,16,16
bead345: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2551,2552,2553,2563,2564 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead346: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2555,2558,2559,2560 
WEIGHTS
Center is computed as a weighted average
=12,12,16,14
bead347: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2565,2566,2567,2583,2584 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead348: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2569,2572,2573,2574 
WEIGHTS
Center is computed as a weighted average
=12,12,12,1
bead349: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2579,2580,2581,2582 
WEIGHTS
Center is computed as a weighted average
=12,1,12,1
bead350: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2575,2576,2577,2578 
WEIGHTS
Center is computed as a weighted average
=12,1,12,1
bead351: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2585,2586,2587,2600,2601 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead352: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2589,2592,2595,2596,2597 
WEIGHTS
Center is computed as a weighted average
=12,12,12,16,14
bead353: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2602,2603,2604,2619,2620 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead354: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2606,2608,2612,2615 
WEIGHTS
Center is computed as a weighted average
=12,12,12,12
bead355: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2621,2622,2623,2630,2631 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead356: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2625,2628,2629 
WEIGHTS
Center is computed as a weighted average
=12,16,1
bead357: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2632,2633,2634,2649,2650 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead358: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2636,2639,2641,2645 
WEIGHTS
Center is computed as a weighted average
=12,12,12,12
bead359: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2651,2652,2653,2671,2672 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead360: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2655,2658,2661 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead361: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2664,2667,2668,2669,2670 
WEIGHTS
Center is computed as a weighted average
=12,14,1,1,1
bead362: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2673,2674,2675,2682,2683 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead363: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2677,2680,2681 
WEIGHTS
Center is computed as a weighted average
=12,16,1
bead364: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2684,2685,2686,2704,2705 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead365: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2688,2691,2694 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead366: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2697,2700,2701,2702,2703 
WEIGHTS
Center is computed as a weighted average
=12,14,1,1,1
bead367: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2706,2707,2708,2721,2722 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead368: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2710,2713,2716,2717,2718 
WEIGHTS
Center is computed as a weighted average
=12,12,12,16,14
bead369: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2723,2724,2725,2728,2729 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead370: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2730,2740,2742,2743 
WEIGHTS
Center is computed as a weighted average
=14,12,12,16
bead371: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2731,2734,2737 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead372: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2744,2745,2746,2761,2762 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead373: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2748,2750,2754,2757 
WEIGHTS
Center is computed as a weighted average
=12,12,12,12
bead374: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2763,2764,2765,2773,2774 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead375: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2767,2770,2771,2772 
WEIGHTS
Center is computed as a weighted average
=12,12,16,16
bead376: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2775,2776,2777,2789,2790 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead377: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2779,2781,2785 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead378: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2791,2792,2793,2809,2810 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead379: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2795,2798,2799,2800 
WEIGHTS
Center is computed as a weighted average
=12,12,12,1
bead380: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2805,2806,2807,2808 
WEIGHTS
Center is computed as a weighted average
=12,1,12,1
bead381: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2801,2802,2803,2804 
WEIGHTS
Center is computed as a weighted average
=12,1,12,1
bead382: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2811,2812,2813,2828,2829 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead383: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2815,2818,2820,2824 
WEIGHTS
Center is computed as a weighted average
=12,12,12,12
bead384: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2830,2831,2832,2839,2840 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead385: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2834,2837 
WEIGHTS
Center is computed as a weighted average
=12,32
bead386: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2841,2851,2853,2854 
WEIGHTS
Center is computed as a weighted average
=14,12,12,16
bead387: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2842,2845,2848 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead388: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2855,2856,2857,2868,2869 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead389: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2859,2862,2865,2866,2867 
WEIGHTS
Center is computed as a weighted average
=12,12,12,16,16
bead390: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2870,2871,2872,2883,2884,2885 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16,16
bead391: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2874,2877,2880,2881,2882 
WEIGHTS
Center is computed as a weighted average
=12,12,12,16,16
bead392: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2886,2887,2888,2889,2890,2910,2911 
WEIGHTS
Center is computed as a weighted average
=14,1,1,1,12,12,16
bead393: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2892,2895,2898 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead394: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2901,2902,2903,2904,2907 
WEIGHTS
Center is computed as a weighted average
=14,1,12,14,14
bead395: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2912,2913,2914,2917,2918 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead396: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2919,2920,2921,2928,2929 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead397: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2923,2926,2927 
WEIGHTS
Center is computed as a weighted average
=12,16,1
bead398: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2930,2931,2932,2945,2946 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead399: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2934,2937 
WEIGHTS
Center is computed as a weighted average
=12,12
bead400: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2941,2942,2943,2944 
WEIGHTS
Center is computed as a weighted average
=14,1,12,1
bead401: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2938,2939,2940 
WEIGHTS
Center is computed as a weighted average
=14,12,1
bead402: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2947,2948,2949,2962,2963 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead403: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2951,2954,2957,2958 
WEIGHTS
Center is computed as a weighted average
=12,12,32,12
bead404: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2964,2965,2966,2986,2987 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead405: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2968,2971,2974 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead406: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2977,2978,2979,2980,2983 
WEIGHTS
Center is computed as a weighted average
=14,1,12,14,14
bead407: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2988,2989,2990,3000,3001 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead408: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=2992,2995,2996,2997 
WEIGHTS
Center is computed as a weighted average
=12,12,16,14
bead409: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3002,3003,3004,3024,3025 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead410: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3006,3009,3012 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead411: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3015,3016,3017,3018,3021 
WEIGHTS
Center is computed as a weighted average
=14,1,12,14,14
bead412: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3026,3027,3028,3046,3047 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead413: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3030,3033,3036 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead414: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3039,3042,3043,3044,3045 
WEIGHTS
Center is computed as a weighted average
=12,14,1,1,1
bead415: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3048,3049,3050,3053,3054 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead416: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3055,3056,3057,3068,3069 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead417: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3059,3062,3065,3066,3067 
WEIGHTS
Center is computed as a weighted average
=12,12,12,16,16
bead418: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3070,3071,3072,3090,3091 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead419: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3074,3077,3080 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead420: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3083,3086,3087,3088,3089 
WEIGHTS
Center is computed as a weighted average
=12,14,1,1,1
bead421: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3092,3093,3094,3104,3105 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead422: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3096,3099,3100,3101 
WEIGHTS
Center is computed as a weighted average
=12,12,16,14
bead423: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3106,3107,3108,3111,3112 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead424: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3113,3114,3115,3133,3134 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead425: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3117,3120,3123 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead426: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3126,3129,3130,3131,3132 
WEIGHTS
Center is computed as a weighted average
=12,14,1,1,1
bead427: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3135,3136,3137,3140,3141 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead428: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3142,3143,3144,3159,3160 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead429: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3146,3149,3151,3155 
WEIGHTS
Center is computed as a weighted average
=12,12,12,12
bead430: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3161,3162,3163,3183,3184 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead431: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3165,3168,3171 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead432: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3174,3175,3176,3177,3180 
WEIGHTS
Center is computed as a weighted average
=14,1,12,14,14
bead433: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3185,3186,3187,3200,3201 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead434: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3189,3192 
WEIGHTS
Center is computed as a weighted average
=12,12
bead435: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3196,3197,3198,3199 
WEIGHTS
Center is computed as a weighted average
=14,1,12,1
bead436: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3193,3194,3195 
WEIGHTS
Center is computed as a weighted average
=14,12,1
bead437: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3202,3203,3204,3220,3221 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead438: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3206,3209,3210,3211 
WEIGHTS
Center is computed as a weighted average
=12,12,12,1
bead439: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3216,3217,3218,3219 
WEIGHTS
Center is computed as a weighted average
=12,1,12,1
bead440: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3212,3213,3214,3215 
WEIGHTS
Center is computed as a weighted average
=12,1,12,1
bead441: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3222,3223,3224,3231,3232 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead442: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3226,3229,3230 
WEIGHTS
Center is computed as a weighted average
=12,16,1
bead443: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3233,3234,3235,3248,3249 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead444: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3237,3240,3243,3244 
WEIGHTS
Center is computed as a weighted average
=12,12,32,12
bead445: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3250,3251,3252,3270,3271 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead446: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3254,3257,3260 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead447: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3263,3266,3267,3268,3269 
WEIGHTS
Center is computed as a weighted average
=12,14,1,1,1
bead448: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3272,3273,3274,3286,3287 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead449: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3276,3278,3282 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead450: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3288,3289,3290,3297,3298 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead451: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3292,3295 
WEIGHTS
Center is computed as a weighted average
=12,32
bead452: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3299,3300,3301,3312,3313 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead453: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3303,3306,3309,3310,3311 
WEIGHTS
Center is computed as a weighted average
=12,12,12,16,16
bead454: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3314,3315,3316,3334,3335 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead455: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3318,3321,3324 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead456: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3327,3330,3331,3332,3333 
WEIGHTS
Center is computed as a weighted average
=12,14,1,1,1
bead457: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3336,3337,3338,3350,3351 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead458: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3340,3342,3346 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead459: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3352,3353,3354,3367,3368 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead460: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3356,3359,3362,3363,3364 
WEIGHTS
Center is computed as a weighted average
=12,12,12,16,14
bead461: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3369,3370,3371,3391,3392 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead462: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3373,3376,3379 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead463: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3382,3383,3384,3385,3388 
WEIGHTS
Center is computed as a weighted average
=14,1,12,14,14
bead464: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3393,3394,3395,3413,3414 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead465: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3397,3400,3403 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead466: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3406,3409,3410,3411,3412 
WEIGHTS
Center is computed as a weighted average
=12,14,1,1,1
bead467: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3415,3416,3417,3420,3421 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead468: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3422,3423,3424,3434,3435 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead469: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3426,3428,3432,3433 
WEIGHTS
Center is computed as a weighted average
=12,12,16,1
bead470: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3436,3437,3438,3448,3449 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead471: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3440,3442,3446,3447 
WEIGHTS
Center is computed as a weighted average
=12,12,16,1
bead472: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3450,3451,3452,3459,3460 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead473: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3454,3457,3458 
WEIGHTS
Center is computed as a weighted average
=12,16,1
bead474: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3461,3462,3463,3480,3481 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead475: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3465,3468,3469,3470 
WEIGHTS
Center is computed as a weighted average
=12,12,12,1
bead476: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3476,3477,3478,3479 
WEIGHTS
Center is computed as a weighted average
=12,1,12,1
bead477: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3471,3472,3473,3474,3475 
WEIGHTS
Center is computed as a weighted average
=12,1,12,16,1
bead478: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3482,3483,3484,3494,3495 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead479: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3486,3489,3490,3491 
WEIGHTS
Center is computed as a weighted average
=12,12,16,14
bead480: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3496,3497,3498,3509,3510 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead481: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3500,3503,3506,3507,3508 
WEIGHTS
Center is computed as a weighted average
=12,12,12,16,16
bead482: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3511,3512,3513,3525,3526 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead483: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3515,3517,3521 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead484: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3527,3528,3529,3531,3535,3536 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,12,16
bead485: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3537,3538,3539,3547,3548 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead486: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3541,3544,3545,3546 
WEIGHTS
Center is computed as a weighted average
=12,12,16,16
bead487: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3549,3550,3551,3562,3563 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead488: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3553,3556,3559,3560,3561 
WEIGHTS
Center is computed as a weighted average
=12,12,12,16,16
bead489: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3564,3565,3566,3581,3582 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead490: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3568,3571,3573,3577 
WEIGHTS
Center is computed as a weighted average
=12,12,12,12
bead491: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3583,3584,3585,3597,3598 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead492: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3587,3589,3593 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead493: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3599,3600,3601,3603,3607,3608 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,12,16
bead494: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3609,3610,3611,3622,3623 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead495: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3613,3616,3619,3620,3621 
WEIGHTS
Center is computed as a weighted average
=12,12,12,16,16
bead496: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3624,3625,3626,3642,3643 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead497: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3628,3631,3632,3633 
WEIGHTS
Center is computed as a weighted average
=12,12,12,1
bead498: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3638,3639,3640,3641 
WEIGHTS
Center is computed as a weighted average
=12,1,12,1
bead499: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3634,3635,3636,3637 
WEIGHTS
Center is computed as a weighted average
=12,1,12,1
bead500: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3644,3645,3646,3653,3654 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead501: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3648,3651,3652 
WEIGHTS
Center is computed as a weighted average
=12,16,1
bead502: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3655,3656,3657,3659,3663,3664 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,12,16
bead503: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3665,3666,3667,3669,3673,3674 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,12,16
bead504: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3675,3676,3677,3685,3686 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead505: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3679,3682,3683,3684 
WEIGHTS
Center is computed as a weighted average
=12,12,16,16
bead506: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3687,3688,3689,3699,3700 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead507: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3691,3694,3695,3696 
WEIGHTS
Center is computed as a weighted average
=12,12,16,14
bead508: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3701,3702,3703,3716,3717 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead509: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3705,3708 
WEIGHTS
Center is computed as a weighted average
=12,12
bead510: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3712,3713,3714,3715 
WEIGHTS
Center is computed as a weighted average
=14,1,12,1
bead511: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3709,3710,3711 
WEIGHTS
Center is computed as a weighted average
=14,12,1
bead512: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3718,3719,3720,3735,3736 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead513: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3722,3724,3728,3731 
WEIGHTS
Center is computed as a weighted average
=12,12,12,12
bead514: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3737,3738,3739,3754,3755 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead515: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3741,3744,3746,3750 
WEIGHTS
Center is computed as a weighted average
=12,12,12,12
bead516: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3756,3766,3768,3769 
WEIGHTS
Center is computed as a weighted average
=14,12,12,16
bead517: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3757,3760,3763 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead518: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3770,3771,3772,3782,3783 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead519: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3774,3777,3778,3779 
WEIGHTS
Center is computed as a weighted average
=12,12,16,14
bead520: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3784,3785,3786,3797,3798 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead521: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3788,3791,3794,3795,3796 
WEIGHTS
Center is computed as a weighted average
=12,12,12,16,16
bead522: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3799,3800,3801,3808,3809 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead523: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3803,3806,3807 
WEIGHTS
Center is computed as a weighted average
=12,16,1
bead524: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3810,3811,3812,3814,3818,3819 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,12,16
bead525: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3820,3821,3822,3839,3840 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead526: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3824,3827,3828,3829 
WEIGHTS
Center is computed as a weighted average
=12,12,12,1
bead527: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3835,3836,3837,3838 
WEIGHTS
Center is computed as a weighted average
=12,1,12,1
bead528: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3830,3831,3832,3833,3834 
WEIGHTS
Center is computed as a weighted average
=12,1,12,16,1
bead529: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3841,3842,3843,3851,3852 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead530: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3845,3848,3849,3850 
WEIGHTS
Center is computed as a weighted average
=12,12,16,16
bead531: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3853,3854,3855,3868,3869 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead532: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3857,3860,3863,3864,3865 
WEIGHTS
Center is computed as a weighted average
=12,12,12,16,14
bead533: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3870,3871,3872,3890,3891 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead534: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3874,3877,3880 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead535: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3883,3886,3887,3888,3889 
WEIGHTS
Center is computed as a weighted average
=12,14,1,1,1
bead536: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3892,3893,3894,3904,3905 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead537: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3896,3899,3900,3901 
WEIGHTS
Center is computed as a weighted average
=12,12,16,14
bead538: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3906,3907,3908,3923,3924 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead539: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3910,3912,3916,3919 
WEIGHTS
Center is computed as a weighted average
=12,12,12,12
bead540: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3925,3926,3927,3947,3948 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead541: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3929,3932,3935 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead542: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3938,3939,3940,3941,3944 
WEIGHTS
Center is computed as a weighted average
=14,1,12,14,14
bead543: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3949,3950,3951,3971,3972 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead544: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3953,3956,3959 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead545: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3962,3963,3964,3965,3968 
WEIGHTS
Center is computed as a weighted average
=14,1,12,14,14
bead546: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3973,3974,3975,3995,3996 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead547: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3977,3980,3983 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead548: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3986,3987,3988,3989,3992 
WEIGHTS
Center is computed as a weighted average
=14,1,12,14,14
bead549: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=3997,3998,3999,4011,4012 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead550: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4001,4003,4007 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead551: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4013,4014,4015,4032,4033 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead552: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4017,4020,4021,4022 
WEIGHTS
Center is computed as a weighted average
=12,12,12,1
bead553: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4028,4029,4030,4031 
WEIGHTS
Center is computed as a weighted average
=12,1,12,1
bead554: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4023,4024,4025,4026,4027 
WEIGHTS
Center is computed as a weighted average
=12,1,12,16,1
bead555: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4034,4035,4036,4044,4045 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead556: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4038,4041,4042,4043 
WEIGHTS
Center is computed as a weighted average
=12,12,16,16
bead557: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4046,4047,4048,4050,4054,4055 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,12,16
bead558: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4056,4057,4058,4073,4074 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead559: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4060,4063,4065,4069 
WEIGHTS
Center is computed as a weighted average
=12,12,12,12
bead560: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4075,4076,4077,4087,4088 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead561: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4079,4082,4083,4084 
WEIGHTS
Center is computed as a weighted average
=12,12,16,14
bead562: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4089,4090,4091,4103,4104 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead563: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4093,4095,4099 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead564: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4105,4106,4107,4122,4123 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead565: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4109,4112,4114,4118 
WEIGHTS
Center is computed as a weighted average
=12,12,12,12
bead566: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4124,4125,4126,4139,4140 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead567: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4128,4131,4134,4135 
WEIGHTS
Center is computed as a weighted average
=12,12,32,12
bead568: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4141,4142,4143,4145,4149,4150 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,12,16
bead569: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4151,4152,4153,4166,4167 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead570: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4155,4158,4161,4162 
WEIGHTS
Center is computed as a weighted average
=12,12,32,12
bead571: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4168,4169,4170,4180,4181 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead572: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4172,4175,4176,4177 
WEIGHTS
Center is computed as a weighted average
=12,12,16,14
bead573: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4182,4183,4184,4199,4200 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead574: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4186,4188,4192,4195 
WEIGHTS
Center is computed as a weighted average
=12,12,12,12
bead575: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4201,4202,4203,4218,4219 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead576: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4205,4207,4211,4214 
WEIGHTS
Center is computed as a weighted average
=12,12,12,12
bead577: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4220,4221,4222,4229,4230 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead578: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4224,4227,4228 
WEIGHTS
Center is computed as a weighted average
=12,16,1
bead579: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4231,4232,4233,4251,4252 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead580: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4235,4238,4241 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead581: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4244,4247,4248,4249,4250 
WEIGHTS
Center is computed as a weighted average
=12,14,1,1,1
bead582: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4253,4254,4255,4266,4267 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead583: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4257,4260,4263,4264,4265 
WEIGHTS
Center is computed as a weighted average
=12,12,12,16,16
bead584: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4268,4269,4270,4288,4289 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead585: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4272,4275,4278 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead586: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4281,4284,4285,4286,4287 
WEIGHTS
Center is computed as a weighted average
=12,14,1,1,1
bead587: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4290,4291,4292,4310,4311 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead588: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4294,4297,4300 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead589: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4303,4306,4307,4308,4309 
WEIGHTS
Center is computed as a weighted average
=12,14,1,1,1
bead590: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4312,4313,4314,4325,4326 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead591: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4316,4319,4322,4323,4324 
WEIGHTS
Center is computed as a weighted average
=12,12,12,16,16
bead592: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4327,4328,4329,4344,4345 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead593: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4331,4333,4337,4340 
WEIGHTS
Center is computed as a weighted average
=12,12,12,12
bead594: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4346,4347,4348,4366,4367 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead595: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4350,4353,4356 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead596: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4359,4362,4363,4364,4365 
WEIGHTS
Center is computed as a weighted average
=12,14,1,1,1
bead597: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4368,4369,4370,4390,4391 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead598: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4372,4375,4389 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead599: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4376,4377,4378,4379,4380 
WEIGHTS
Center is computed as a weighted average
=12,1,14,1,12
bead600: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4385,4386,4387,4388 
WEIGHTS
Center is computed as a weighted average
=12,1,12,1
bead601: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4381,4382,4383,4384 
WEIGHTS
Center is computed as a weighted average
=12,1,12,1
bead602: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4392,4393,4394,4409,4410 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead603: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4396,4398,4402,4405 
WEIGHTS
Center is computed as a weighted average
=12,12,12,12
bead604: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4411,4412,4413,4416,4417 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead605: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4418,4419,4420,4435,4436 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead606: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4422,4425,4427,4431 
WEIGHTS
Center is computed as a weighted average
=12,12,12,12
bead607: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4437,4447,4449,4450 
WEIGHTS
Center is computed as a weighted average
=14,12,12,16
bead608: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4438,4441,4444 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead609: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4451,4452,4453,4463,4464 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead610: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4455,4457,4461,4462 
WEIGHTS
Center is computed as a weighted average
=12,12,16,1
bead611: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4465,4466,4467,4477,4478 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead612: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4469,4472,4473,4474 
WEIGHTS
Center is computed as a weighted average
=12,12,16,14
bead613: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4479,4480,4481,4488,4489 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead614: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4483,4486,4487 
WEIGHTS
Center is computed as a weighted average
=12,16,1
bead615: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4490,4491,4492,4494,4498,4499 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,12,16
bead616: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4500,4501,4502,4515,4516 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead617: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4504,4507,4510,4511,4512 
WEIGHTS
Center is computed as a weighted average
=12,12,12,16,14
bead618: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4517,4518,4519,4530,4531 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead619: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4521,4524,4527,4528,4529 
WEIGHTS
Center is computed as a weighted average
=12,12,12,16,16
bead620: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4532,4533,4534,4541,4542 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead621: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4536,4539 
WEIGHTS
Center is computed as a weighted average
=12,32
bead622: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4543,4544,4545,4558,4559 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead623: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4547,4550,4553,4554,4555 
WEIGHTS
Center is computed as a weighted average
=12,12,12,16,14
bead624: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4560,4561,4562,4572,4573 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead625: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4564,4567,4568,4569 
WEIGHTS
Center is computed as a weighted average
=12,12,16,14
bead626: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4574,4575,4576,4591,4592 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead627: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4578,4581,4583,4587 
WEIGHTS
Center is computed as a weighted average
=12,12,12,12
bead628: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4593,4594,4595,4606,4607 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead629: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4597,4600,4603,4604,4605 
WEIGHTS
Center is computed as a weighted average
=12,12,12,16,16
bead630: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4608,4609,4610,4622,4623 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead631: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4612,4614,4618 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead632: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4624,4625,4626,4637,4638 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead633: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4628,4631,4634,4635,4636 
WEIGHTS
Center is computed as a weighted average
=12,12,12,16,16
bead634: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4639,4640,4641,4661,4662 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead635: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4643,4646,4649 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead636: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4652,4653,4654,4655,4658 
WEIGHTS
Center is computed as a weighted average
=14,1,12,14,14
bead637: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4663,4664,4665,4678,4679 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead638: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4667,4670,4673,4674,4675 
WEIGHTS
Center is computed as a weighted average
=12,12,12,16,14
bead639: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4680,4681,4682,4702,4703 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead640: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4684,4687,4690 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead641: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4693,4694,4695,4696,4699 
WEIGHTS
Center is computed as a weighted average
=14,1,12,14,14
bead642: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4704,4705,4706,4726,4727 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead643: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4708,4711,4714 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead644: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4717,4718,4719,4720,4723 
WEIGHTS
Center is computed as a weighted average
=14,1,12,14,14
bead645: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4728,4729,4730,4745,4746 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead646: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4732,4735,4737,4741 
WEIGHTS
Center is computed as a weighted average
=12,12,12,12
bead647: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4747,4748,4749,4760,4761 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead648: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4751,4754,4757,4758,4759 
WEIGHTS
Center is computed as a weighted average
=12,12,12,16,16
bead649: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4762,4763,4764,4784,4785 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead650: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4766,4769,4772 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead651: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4775,4776,4777,4778,4781 
WEIGHTS
Center is computed as a weighted average
=14,1,12,14,14
bead652: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4786,4787,4788,4803,4804 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead653: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4790,4792,4796,4799 
WEIGHTS
Center is computed as a weighted average
=12,12,12,12
bead654: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4805,4806,4807,4825,4826 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead655: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4809,4812,4815 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead656: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4818,4821,4822,4823,4824 
WEIGHTS
Center is computed as a weighted average
=12,14,1,1,1
bead657: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4827,4828,4829,4842,4843 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead658: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4831,4834,4837,4838,4839 
WEIGHTS
Center is computed as a weighted average
=12,12,12,16,14
bead659: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4844,4845,4846,4864,4865 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead660: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4848,4851,4854 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead661: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4857,4860,4861,4862,4863 
WEIGHTS
Center is computed as a weighted average
=12,14,1,1,1
bead662: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4866,4867,4868,4881,4882 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead663: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4870,4873,4876,4877,4878 
WEIGHTS
Center is computed as a weighted average
=12,12,12,16,14
bead664: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4883,4884,4885,4892,4893 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead665: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4887,4890,4891 
WEIGHTS
Center is computed as a weighted average
=12,16,1
bead666: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4894,4895,4896,4909,4910 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead667: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4898,4901,4904,4905,4906 
WEIGHTS
Center is computed as a weighted average
=12,12,12,16,14
bead668: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4911,4912,4913,4928,4929 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead669: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4915,4918,4920,4924 
WEIGHTS
Center is computed as a weighted average
=12,12,12,12
bead670: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4930,4931,4932,4945,4946 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead671: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4934,4937,4940,4941,4942 
WEIGHTS
Center is computed as a weighted average
=12,12,12,16,14
bead672: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4947,4948,4949,4960,4961 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead673: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4951,4954,4957,4958,4959 
WEIGHTS
Center is computed as a weighted average
=12,12,12,16,16
bead674: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4962,4963,4964,4979,4980 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead675: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4966,4969,4971,4975 
WEIGHTS
Center is computed as a weighted average
=12,12,12,12
bead676: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4981,4982,4983,4998,4999 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead677: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=4985,4987,4991,4994 
WEIGHTS
Center is computed as a weighted average
=12,12,12,12
bead678: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5000,5001,5002,5017,5018 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead679: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5004,5007,5009,5013 
WEIGHTS
Center is computed as a weighted average
=12,12,12,12
bead680: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5019,5020,5021,5034,5035 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead681: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5023,5026,5029,5030,5031 
WEIGHTS
Center is computed as a weighted average
=12,12,12,16,14
bead682: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5036,5037,5038,5051,5052 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead683: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5040,5043,5046,5047,5048 
WEIGHTS
Center is computed as a weighted average
=12,12,12,16,14
bead684: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5053,5054,5055,5070,5071 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead685: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5057,5059,5063,5066 
WEIGHTS
Center is computed as a weighted average
=12,12,12,12
bead686: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5072,5073,5074,5076,5080,5081 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,12,16
bead687: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5082,5083,5084,5100,5101 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead688: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5086,5089,5090,5091 
WEIGHTS
Center is computed as a weighted average
=12,12,12,1
bead689: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5096,5097,5098,5099 
WEIGHTS
Center is computed as a weighted average
=12,1,12,1
bead690: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5092,5093,5094,5095 
WEIGHTS
Center is computed as a weighted average
=12,1,12,1
bead691: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5102,5103,5104,5122,5123 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead692: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5106,5109,5112 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead693: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5115,5118,5119,5120,5121 
WEIGHTS
Center is computed as a weighted average
=12,14,1,1,1
bead694: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5124,5125,5126,5136,5137 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead695: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5128,5131,5132,5133 
WEIGHTS
Center is computed as a weighted average
=12,12,16,14
bead696: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5138,5139,5140,5155,5156 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead697: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5142,5145,5147,5151 
WEIGHTS
Center is computed as a weighted average
=12,12,12,12
bead698: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5157,5158,5159,5171,5172 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead699: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5161,5163,5167 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead700: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5173,5174,5175,5188,5189 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead701: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5177,5180,5183,5184,5185 
WEIGHTS
Center is computed as a weighted average
=12,12,12,16,14
bead702: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5190,5191,5192,5212,5213 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead703: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5194,5197,5200 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead704: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5203,5204,5205,5206,5209 
WEIGHTS
Center is computed as a weighted average
=14,1,12,14,14
bead705: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5214,5215,5216,5226,5227 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead706: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5218,5221,5222,5223 
WEIGHTS
Center is computed as a weighted average
=12,12,16,14
bead707: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5228,5229,5230,5250,5251 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead708: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5232,5235,5238 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead709: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5241,5242,5243,5244,5247 
WEIGHTS
Center is computed as a weighted average
=14,1,12,14,14
bead710: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5252,5253,5254,5267,5268 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead711: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5256,5259 
WEIGHTS
Center is computed as a weighted average
=12,12
bead712: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5263,5264,5265,5266 
WEIGHTS
Center is computed as a weighted average
=14,1,12,1
bead713: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5260,5261,5262 
WEIGHTS
Center is computed as a weighted average
=14,12,1
bead714: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5269,5270,5271,5273,5277,5278 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,12,16
bead715: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5279,5280,5281,5292,5293 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead716: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5283,5286,5289,5290,5291 
WEIGHTS
Center is computed as a weighted average
=12,12,12,16,16
bead717: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5294,5295,5296,5309,5310 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead718: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5298,5301,5304,5305,5306 
WEIGHTS
Center is computed as a weighted average
=12,12,12,16,14
bead719: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5311,5312,5313,5326,5327 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead720: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5315,5318,5321,5322,5323 
WEIGHTS
Center is computed as a weighted average
=12,12,12,16,14
bead721: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5328,5329,5330,5332,5336,5337 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,12,16
bead722: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5338,5339,5340,5347,5348 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead723: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5342,5345,5346 
WEIGHTS
Center is computed as a weighted average
=12,16,1
bead724: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5349,5350,5351,5371,5372 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead725: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5353,5356,5359 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead726: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5362,5363,5364,5365,5368 
WEIGHTS
Center is computed as a weighted average
=14,1,12,14,14
bead727: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5373,5383,5385,5386 
WEIGHTS
Center is computed as a weighted average
=14,12,12,16
bead728: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5374,5377,5380 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead729: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5387,5397,5399,5400 
WEIGHTS
Center is computed as a weighted average
=14,12,12,16
bead730: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5388,5391,5394 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead731: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5401,5411,5413,5414 
WEIGHTS
Center is computed as a weighted average
=14,12,12,16
bead732: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5402,5405,5408 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead733: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5415,5425,5427,5428 
WEIGHTS
Center is computed as a weighted average
=14,12,12,16
bead734: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5416,5419,5422 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead735: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5429,5430,5431,5441,5442 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead736: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5433,5436,5437,5438 
WEIGHTS
Center is computed as a weighted average
=12,12,16,14
bead737: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5443,5444,5445,5452,5453 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead738: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5447,5450,5451 
WEIGHTS
Center is computed as a weighted average
=12,16,1
bead739: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5454,5455,5456,5468,5469 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead740: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5458,5460,5464 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead741: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5470,5471,5472,5487,5488 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead742: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5474,5476,5480,5483 
WEIGHTS
Center is computed as a weighted average
=12,12,12,12
bead743: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5489,5490,5491,5504,5505 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead744: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5493,5496 
WEIGHTS
Center is computed as a weighted average
=12,12
bead745: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5500,5501,5502,5503 
WEIGHTS
Center is computed as a weighted average
=14,1,12,1
bead746: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5497,5498,5499 
WEIGHTS
Center is computed as a weighted average
=14,12,1
bead747: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5506,5507,5508,5523,5524 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead748: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5510,5513,5515,5519 
WEIGHTS
Center is computed as a weighted average
=12,12,12,12
bead749: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5525,5535,5537,5538 
WEIGHTS
Center is computed as a weighted average
=14,12,12,16
bead750: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5526,5529,5532 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead751: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5539,5540,5541,5557,5558 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead752: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5543,5546,5547,5548 
WEIGHTS
Center is computed as a weighted average
=12,12,12,1
bead753: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5553,5554,5555,5556 
WEIGHTS
Center is computed as a weighted average
=12,1,12,1
bead754: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5549,5550,5551,5552 
WEIGHTS
Center is computed as a weighted average
=12,1,12,1
bead755: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5559,5560,5561,5576,5577 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead756: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5563,5565,5569,5572 
WEIGHTS
Center is computed as a weighted average
=12,12,12,12
bead757: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5578,5579,5580,5595,5596 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead758: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5582,5584,5588,5591 
WEIGHTS
Center is computed as a weighted average
=12,12,12,12
bead759: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5597,5598,5599,5611,5612 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead760: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5601,5603,5607 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead761: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5613,5614,5615,5625,5626 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead762: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5617,5620,5621,5622 
WEIGHTS
Center is computed as a weighted average
=12,12,16,14
bead763: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5627,5628,5629,5639,5640 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead764: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5631,5633,5637,5638 
WEIGHTS
Center is computed as a weighted average
=12,12,16,1
bead765: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5641,5642,5643,5650,5651 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead766: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5645,5648,5649 
WEIGHTS
Center is computed as a weighted average
=12,16,1
bead767: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5652,5653,5654,5672,5673 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead768: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5656,5659,5662 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead769: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5665,5668,5669,5670,5671 
WEIGHTS
Center is computed as a weighted average
=12,14,1,1,1
bead770: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5674,5675,5676,5694,5695 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead771: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5678,5681,5684 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead772: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5687,5690,5691,5692,5693 
WEIGHTS
Center is computed as a weighted average
=12,14,1,1,1
bead773: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5696,5697,5698,5708,5709 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead774: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5700,5702,5706,5707 
WEIGHTS
Center is computed as a weighted average
=12,12,16,1
bead775: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5710,5711,5712,5724,5725 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead776: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5714,5716,5720 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead777: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5726,5727,5728,5743,5744 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead778: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5730,5732,5736,5739 
WEIGHTS
Center is computed as a weighted average
=12,12,12,12
bead779: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5745,5746,5747,5755,5756 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead780: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5749,5752,5753,5754 
WEIGHTS
Center is computed as a weighted average
=12,12,16,16
bead781: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5757,5758,5759,5766,5767 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead782: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5761,5764 
WEIGHTS
Center is computed as a weighted average
=12,32
bead783: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5768,5769,5770,5777,5778 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead784: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5772,5775,5776 
WEIGHTS
Center is computed as a weighted average
=12,16,1
bead785: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5779,5780,5781,5796,5797 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead786: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5783,5785,5789,5792 
WEIGHTS
Center is computed as a weighted average
=12,12,12,12
bead787: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5798,5799,5800,5807,5808 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead788: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5802,5805,5806 
WEIGHTS
Center is computed as a weighted average
=12,16,1
bead789: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5809,5810,5811,5821,5822 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead790: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5813,5816,5817,5818 
WEIGHTS
Center is computed as a weighted average
=12,12,16,14
bead791: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5823,5824,5825,5833,5834 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead792: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5827,5830,5831,5832 
WEIGHTS
Center is computed as a weighted average
=12,12,16,16
bead793: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5835,5836,5837,5855,5856 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead794: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5839,5842,5845 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead795: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5848,5851,5852,5853,5854 
WEIGHTS
Center is computed as a weighted average
=12,14,1,1,1
bead796: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5857,5858,5859,5875,5876 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead797: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5861,5864,5865,5866 
WEIGHTS
Center is computed as a weighted average
=12,12,12,1
bead798: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5871,5872,5873,5874 
WEIGHTS
Center is computed as a weighted average
=12,1,12,1
bead799: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5867,5868,5869,5870 
WEIGHTS
Center is computed as a weighted average
=12,1,12,1
bead800: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5877,5878,5879,5890,5891 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead801: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5881,5884,5887,5888,5889 
WEIGHTS
Center is computed as a weighted average
=12,12,12,16,16
bead802: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5892,5893,5894,5911,5912 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead803: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5896,5899,5900,5901 
WEIGHTS
Center is computed as a weighted average
=12,12,12,1
bead804: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5907,5908,5909,5910 
WEIGHTS
Center is computed as a weighted average
=12,1,12,1
bead805: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5902,5903,5904,5905,5906 
WEIGHTS
Center is computed as a weighted average
=12,1,12,16,1
bead806: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5913,5914,5915,5930,5931 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead807: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5917,5920,5922,5926 
WEIGHTS
Center is computed as a weighted average
=12,12,12,12
bead808: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5932,5933,5934,5950,5951 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead809: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5936,5939,5940,5941 
WEIGHTS
Center is computed as a weighted average
=12,12,12,1
bead810: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5946,5947,5948,5949 
WEIGHTS
Center is computed as a weighted average
=12,1,12,1
bead811: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5942,5943,5944,5945 
WEIGHTS
Center is computed as a weighted average
=12,1,12,1
bead812: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5952,5953,5954,5964,5965 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead813: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5956,5959,5960,5961 
WEIGHTS
Center is computed as a weighted average
=12,12,16,14
bead814: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5966,5967,5968,5984,5985 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead815: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5970,5973,5974,5975 
WEIGHTS
Center is computed as a weighted average
=12,12,12,1
bead816: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5980,5981,5982,5983 
WEIGHTS
Center is computed as a weighted average
=12,1,12,1
bead817: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5976,5977,5978,5979 
WEIGHTS
Center is computed as a weighted average
=12,1,12,1
bead818: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5986,5987,5988,5996,5997 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead819: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5990,5993,5994,5995 
WEIGHTS
Center is computed as a weighted average
=12,12,16,16
bead820: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=5998,5999,6000,6010,6011 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead821: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6002,6005,6006,6007 
WEIGHTS
Center is computed as a weighted average
=12,12,16,14
bead822: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6012,6013,6014,6024,6025 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead823: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6016,6018,6022,6023 
WEIGHTS
Center is computed as a weighted average
=12,12,16,1
bead824: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6026,6027,6028,6044,6045 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead825: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6030,6033,6034,6035 
WEIGHTS
Center is computed as a weighted average
=12,12,12,1
bead826: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6040,6041,6042,6043 
WEIGHTS
Center is computed as a weighted average
=12,1,12,1
bead827: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6036,6037,6038,6039 
WEIGHTS
Center is computed as a weighted average
=12,1,12,1
bead828: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6046,6047,6048,6059,6060 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead829: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6050,6053,6056,6057,6058 
WEIGHTS
Center is computed as a weighted average
=12,12,12,16,16
bead830: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6061,6062,6063,6078,6079 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead831: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6065,6067,6071,6074 
WEIGHTS
Center is computed as a weighted average
=12,12,12,12
bead832: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6080,6081,6082,6095,6096 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead833: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6084,6087 
WEIGHTS
Center is computed as a weighted average
=12,12
bead834: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6091,6092,6093,6094 
WEIGHTS
Center is computed as a weighted average
=14,1,12,1
bead835: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6088,6089,6090 
WEIGHTS
Center is computed as a weighted average
=14,12,1
bead836: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6097,6098,6099,6107,6108 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead837: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6101,6104,6105,6106 
WEIGHTS
Center is computed as a weighted average
=12,12,16,16
bead838: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6109,6110,6111,6119,6120 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead839: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6113,6116,6117,6118 
WEIGHTS
Center is computed as a weighted average
=12,12,16,16
bead840: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6121,6122,6123,6138,6139 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead841: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6125,6127,6131,6134 
WEIGHTS
Center is computed as a weighted average
=12,12,12,12
bead842: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6140,6141,6142,6153,6154 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead843: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6144,6147,6150,6151,6152 
WEIGHTS
Center is computed as a weighted average
=12,12,12,16,16
bead844: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6155,6156,6157,6169,6170 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead845: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6159,6161,6165 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead846: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6171,6172,6173,6188,6189 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead847: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6175,6178,6180,6184 
WEIGHTS
Center is computed as a weighted average
=12,12,12,12
bead848: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6190,6191,6192,6210,6211 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead849: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6194,6197,6200 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead850: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6203,6206,6207,6208,6209 
WEIGHTS
Center is computed as a weighted average
=12,14,1,1,1
bead851: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6212,6213,6214,6234,6235 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead852: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6216,6219,6222 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead853: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6225,6226,6227,6228,6231 
WEIGHTS
Center is computed as a weighted average
=14,1,12,14,14
bead854: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6236,6237,6238,6251,6252 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead855: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6240,6243,6246,6247 
WEIGHTS
Center is computed as a weighted average
=12,12,32,12
bead856: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6253,6254,6255,6258,6259 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead857: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6260,6261,6262,6275,6276 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead858: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6264,6267,6270,6271 
WEIGHTS
Center is computed as a weighted average
=12,12,32,12
bead859: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6277,6278,6279,6281,6285,6286 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,12,16
bead860: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6287,6288,6289,6296,6297 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead861: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6291,6294 
WEIGHTS
Center is computed as a weighted average
=12,32
bead862: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6298,6299,6300,6303,6304 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead863: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6305,6306,6307,6322,6323 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead864: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6309,6312,6314,6318 
WEIGHTS
Center is computed as a weighted average
=12,12,12,12
bead865: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6324,6325,6326,6337,6338 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead866: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6328,6331,6334,6335,6336 
WEIGHTS
Center is computed as a weighted average
=12,12,12,16,16
bead867: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6339,6340,6341,6348,6349 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead868: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6343,6346,6347 
WEIGHTS
Center is computed as a weighted average
=12,16,1
bead869: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6350,6351,6352,6355,6356 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead870: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6357,6358,6359,6366,6367 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead871: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6361,6364,6365 
WEIGHTS
Center is computed as a weighted average
=12,16,1
bead872: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6368,6369,6370,6377,6378 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead873: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6372,6375 
WEIGHTS
Center is computed as a weighted average
=12,32
bead874: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6379,6380,6381,6388,6389 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead875: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6383,6386,6387 
WEIGHTS
Center is computed as a weighted average
=12,16,1
bead876: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6390,6391,6392,6394,6398,6399 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,12,16
bead877: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6400,6401,6402,6413,6414 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead878: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6404,6407,6410,6411,6412 
WEIGHTS
Center is computed as a weighted average
=12,12,12,16,16
bead879: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6415,6416,6417,6425,6426 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead880: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6419,6422,6423,6424 
WEIGHTS
Center is computed as a weighted average
=12,12,16,16
bead881: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6427,6428,6429,6444,6445 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead882: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6431,6434,6436,6440 
WEIGHTS
Center is computed as a weighted average
=12,12,12,12
bead883: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6446,6447,6448,6466,6467 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead884: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6450,6453,6456 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead885: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6459,6462,6463,6464,6465 
WEIGHTS
Center is computed as a weighted average
=12,14,1,1,1
bead886: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6468,6469,6470,6483,6484 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead887: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6472,6475,6478,6479 
WEIGHTS
Center is computed as a weighted average
=12,12,32,12
bead888: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6485,6486,6487,6489,6493,6494 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,12,16
bead889: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6495,6496,6497,6517,6518 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead890: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6499,6502,6505 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead891: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6508,6509,6510,6511,6514 
WEIGHTS
Center is computed as a weighted average
=14,1,12,14,14
bead892: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6519,6520,6521,6528,6529 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead893: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6523,6526,6527 
WEIGHTS
Center is computed as a weighted average
=12,16,1
bead894: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6530,6531,6532,6547,6548 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead895: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6534,6537,6539,6543 
WEIGHTS
Center is computed as a weighted average
=12,12,12,12
bead896: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6549,6550,6551,6563,6564 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead897: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6553,6555,6559 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead898: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6565,6575,6577,6578 
WEIGHTS
Center is computed as a weighted average
=14,12,12,16
bead899: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6566,6569,6572 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead900: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6579,6580,6581,6599,6600 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead901: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6583,6586,6589 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead902: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6592,6595,6596,6597,6598 
WEIGHTS
Center is computed as a weighted average
=12,14,1,1,1
bead903: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6601,6602,6603,6605,6609,6610 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,12,16
bead904: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6611,6612,6613,6628,6629 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead905: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6615,6618,6620,6624 
WEIGHTS
Center is computed as a weighted average
=12,12,12,12
bead906: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6630,6631,6632,6643,6644 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead907: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6634,6637,6640,6641,6642 
WEIGHTS
Center is computed as a weighted average
=12,12,12,16,16
bead908: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6645,6655,6657,6658 
WEIGHTS
Center is computed as a weighted average
=14,12,12,16
bead909: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6646,6649,6652 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead910: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6659,6660,6661,6678,6679 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead911: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6663,6666,6667,6668 
WEIGHTS
Center is computed as a weighted average
=12,12,12,1
bead912: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6674,6675,6676,6677 
WEIGHTS
Center is computed as a weighted average
=12,1,12,1
bead913: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6669,6670,6671,6672,6673 
WEIGHTS
Center is computed as a weighted average
=12,1,12,16,1
bead914: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6680,6681,6682,6694,6695 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead915: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6684,6686,6690 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead916: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6696,6697,6698,6708,6709 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead917: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6700,6702,6706,6707 
WEIGHTS
Center is computed as a weighted average
=12,12,16,1
bead918: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6710,6711,6712,6723,6724 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead919: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6714,6717,6720,6721,6722 
WEIGHTS
Center is computed as a weighted average
=12,12,12,16,16
bead920: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6725,6726,6727,6740,6741 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead921: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6729,6732,6735,6736 
WEIGHTS
Center is computed as a weighted average
=12,12,32,12
bead922: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6742,6743,6744,6746,6750,6751 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,12,16
bead923: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6752,6753,6754,6767,6768 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead924: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6756,6759,6762,6763,6764 
WEIGHTS
Center is computed as a weighted average
=12,12,12,16,14
bead925: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6769,6770,6771,6774,6775 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead926: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6776,6777,6778,6788,6789 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead927: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6780,6782,6786,6787 
WEIGHTS
Center is computed as a weighted average
=12,12,16,1
bead928: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6790,6791,6792,6804,6805 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead929: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6794,6796,6800 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead930: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6806,6807,6808,6811,6812 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead931: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6813,6814,6815,6818,6819 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead932: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6820,6821,6822,6834,6835 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead933: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6824,6826,6830 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead934: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6836,6837,6838,6854,6855 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead935: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6840,6843,6844,6845 
WEIGHTS
Center is computed as a weighted average
=12,12,12,1
bead936: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6850,6851,6852,6853 
WEIGHTS
Center is computed as a weighted average
=12,1,12,1
bead937: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6846,6847,6848,6849 
WEIGHTS
Center is computed as a weighted average
=12,1,12,1
bead938: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6856,6857,6858,6873,6874 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead939: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6860,6862,6866,6869 
WEIGHTS
Center is computed as a weighted average
=12,12,12,12
bead940: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6875,6876,6877,6887,6888 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead941: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6879,6881,6885,6886 
WEIGHTS
Center is computed as a weighted average
=12,12,16,1
bead942: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6889,6890,6891,6901,6902 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead943: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6893,6895,6899,6900 
WEIGHTS
Center is computed as a weighted average
=12,12,16,1
bead944: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6903,6904,6905,6907,6911,6912 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,12,16
bead945: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6913,6914,6915,6918,6919 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead946: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6920,6921,6922,6929,6930 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16
bead947: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6924,6927,6928 
WEIGHTS
Center is computed as a weighted average
=12,16,1
bead948: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6931,6932,6933,6943,6944,6945 
WEIGHTS
Center is computed as a weighted average
=14,1,12,12,16,16
bead949: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6935,6937,6941,6942 
WEIGHTS
Center is computed as a weighted average
=12,12,16,1
bead950: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6948,6951,6953 
WEIGHTS
Center is computed as a weighted average
=12,12,16
bead951: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6954,6970,6972 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead952: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6956,6957 
WEIGHTS
Center is computed as a weighted average
=14,12
bead953: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6966,6968,6969 
WEIGHTS
Center is computed as a weighted average
=14,12,16
bead954: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6959,6960,6964,6965 
WEIGHTS
Center is computed as a weighted average
=12,12,12,16
bead955: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6976,6977,6978,6979,6975 
WEIGHTS
Center is computed as a weighted average
=31,16,16,16,16
bead956: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6980,6983,6985 
WEIGHTS
Center is computed as a weighted average
=12,12,16
bead957: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6986,7002,7004 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead958: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6988,6989 
WEIGHTS
Center is computed as a weighted average
=14,12
bead959: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6998,7000,7001 
WEIGHTS
Center is computed as a weighted average
=14,12,16
bead960: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=6991,6992,6996,6997 
WEIGHTS
Center is computed as a weighted average
=12,12,12,16
bead961: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7008,7009,7010,7011,7007 
WEIGHTS
Center is computed as a weighted average
=31,16,16,16,16
bead962: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7012,7015,7017 
WEIGHTS
Center is computed as a weighted average
=12,12,16
bead963: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7018,7034,7036 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead964: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7020,7021 
WEIGHTS
Center is computed as a weighted average
=14,12
bead965: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7030,7032,7033 
WEIGHTS
Center is computed as a weighted average
=14,12,16
bead966: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7023,7024,7028,7029 
WEIGHTS
Center is computed as a weighted average
=12,12,12,16
bead967: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7040,7041,7042,7043,7039 
WEIGHTS
Center is computed as a weighted average
=31,16,16,16,16
bead968: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7044,7047,7049 
WEIGHTS
Center is computed as a weighted average
=12,12,16
bead969: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7050,7066,7068 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead970: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7052,7065 
WEIGHTS
Center is computed as a weighted average
=14,12
bead971: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7062,7064 
WEIGHTS
Center is computed as a weighted average
=12,14
bead972: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7057,7058,7061 
WEIGHTS
Center is computed as a weighted average
=12,14,14
bead973: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7053,7055,7056 
WEIGHTS
Center is computed as a weighted average
=12,14,12
bead974: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7072,7073,7074,7075,7071 
WEIGHTS
Center is computed as a weighted average
=31,16,16,16,16
bead975: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7076,7079,7081 
WEIGHTS
Center is computed as a weighted average
=12,12,16
bead976: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7082,7096,7098 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead977: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7084,7085 
WEIGHTS
Center is computed as a weighted average
=14,12
bead978: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7093,7094,7095 
WEIGHTS
Center is computed as a weighted average
=14,12,16
bead979: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7087,7089,7090 
WEIGHTS
Center is computed as a weighted average
=12,12,14
bead980: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7102,7103,7104,7105,7101 
WEIGHTS
Center is computed as a weighted average
=31,16,16,16,16
bead981: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7106,7109,7111 
WEIGHTS
Center is computed as a weighted average
=12,12,16
bead982: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7112,7129,7131 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead983: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7114,7128 
WEIGHTS
Center is computed as a weighted average
=14,12
bead984: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7123,7124,7127 
WEIGHTS
Center is computed as a weighted average
=12,14,14
bead985: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7119,7120,7121 
WEIGHTS
Center is computed as a weighted average
=12,16,14
bead986: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7115,7117,7118 
WEIGHTS
Center is computed as a weighted average
=12,14,12
bead987: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7135,7136,7137,7138,7134 
WEIGHTS
Center is computed as a weighted average
=31,16,16,16,16
bead988: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7139,7142,7144 
WEIGHTS
Center is computed as a weighted average
=12,12,16
bead989: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7145,7159,7161 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead990: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7147,7148 
WEIGHTS
Center is computed as a weighted average
=14,12
bead991: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7156,7157,7158 
WEIGHTS
Center is computed as a weighted average
=14,12,16
bead992: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7150,7152,7153 
WEIGHTS
Center is computed as a weighted average
=12,12,14
bead993: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7165,7166,7167,7168,7164 
WEIGHTS
Center is computed as a weighted average
=31,16,16,16,16
bead994: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7169,7172,7174 
WEIGHTS
Center is computed as a weighted average
=12,12,16
bead995: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7175,7192,7194 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead996: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7177,7191 
WEIGHTS
Center is computed as a weighted average
=14,12
bead997: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7186,7187,7190 
WEIGHTS
Center is computed as a weighted average
=12,14,14
bead998: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7182,7183,7184 
WEIGHTS
Center is computed as a weighted average
=12,16,14
bead999: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7178,7180,7181 
WEIGHTS
Center is computed as a weighted average
=12,14,12
bead1000: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7198,7199,7200,7201,7197 
WEIGHTS
Center is computed as a weighted average
=31,16,16,16,16
bead1001: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7202,7205,7207 
WEIGHTS
Center is computed as a weighted average
=12,12,16
bead1002: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7208,7222,7224 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead1003: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7210,7211 
WEIGHTS
Center is computed as a weighted average
=14,12
bead1004: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7219,7220,7221 
WEIGHTS
Center is computed as a weighted average
=14,12,16
bead1005: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7213,7215,7216 
WEIGHTS
Center is computed as a weighted average
=12,12,14
bead1006: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7228,7229,7230,7231,7227 
WEIGHTS
Center is computed as a weighted average
=31,16,16,16,16
bead1007: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7232,7235,7237 
WEIGHTS
Center is computed as a weighted average
=12,12,16
bead1008: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7238,7252,7254 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead1009: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7240,7241 
WEIGHTS
Center is computed as a weighted average
=14,12
bead1010: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7249,7250,7251 
WEIGHTS
Center is computed as a weighted average
=14,12,16
bead1011: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7243,7245,7246 
WEIGHTS
Center is computed as a weighted average
=12,12,14
bead1012: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7258,7259,7260,7261,7257 
WEIGHTS
Center is computed as a weighted average
=31,16,16,16,16
bead1013: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7262,7265,7267 
WEIGHTS
Center is computed as a weighted average
=12,12,16
bead1014: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7268,7284,7286 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead1015: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7270,7283 
WEIGHTS
Center is computed as a weighted average
=14,12
bead1016: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7280,7282 
WEIGHTS
Center is computed as a weighted average
=12,14
bead1017: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7275,7276,7279 
WEIGHTS
Center is computed as a weighted average
=12,14,14
bead1018: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7271,7273,7274 
WEIGHTS
Center is computed as a weighted average
=12,14,12
bead1019: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7290,7291,7292,7293,7289 
WEIGHTS
Center is computed as a weighted average
=31,16,16,16,16
bead1020: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7294,7297,7299 
WEIGHTS
Center is computed as a weighted average
=12,12,16
bead1021: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7300,7316,7318 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead1022: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7302,7315 
WEIGHTS
Center is computed as a weighted average
=14,12
bead1023: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7312,7314 
WEIGHTS
Center is computed as a weighted average
=12,14
bead1024: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7307,7308,7311 
WEIGHTS
Center is computed as a weighted average
=12,14,14
bead1025: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7303,7305,7306 
WEIGHTS
Center is computed as a weighted average
=12,14,12
bead1026: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7322,7323,7324,7325,7321 
WEIGHTS
Center is computed as a weighted average
=31,16,16,16,16
bead1027: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7326,7329,7331 
WEIGHTS
Center is computed as a weighted average
=12,12,16
bead1028: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7332,7348,7350 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead1029: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7334,7347 
WEIGHTS
Center is computed as a weighted average
=14,12
bead1030: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7344,7346 
WEIGHTS
Center is computed as a weighted average
=12,14
bead1031: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7339,7340,7343 
WEIGHTS
Center is computed as a weighted average
=12,14,14
bead1032: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7335,7337,7338 
WEIGHTS
Center is computed as a weighted average
=12,14,12
bead1033: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7354,7355,7356,7357,7353 
WEIGHTS
Center is computed as a weighted average
=31,16,16,16,16
bead1034: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7358,7361,7363 
WEIGHTS
Center is computed as a weighted average
=12,12,16
bead1035: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7364,7380,7382 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead1036: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7366,7367 
WEIGHTS
Center is computed as a weighted average
=14,12
bead1037: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7376,7378,7379 
WEIGHTS
Center is computed as a weighted average
=14,12,16
bead1038: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7369,7370,7374,7375 
WEIGHTS
Center is computed as a weighted average
=12,12,12,16
bead1039: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7386,7387,7388,7389,7385 
WEIGHTS
Center is computed as a weighted average
=31,16,16,16,16
bead1040: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7390,7393,7395 
WEIGHTS
Center is computed as a weighted average
=12,12,16
bead1041: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7396,7410,7412 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead1042: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7398,7399 
WEIGHTS
Center is computed as a weighted average
=14,12
bead1043: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7407,7408,7409 
WEIGHTS
Center is computed as a weighted average
=14,12,16
bead1044: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7401,7403,7404 
WEIGHTS
Center is computed as a weighted average
=12,12,14
bead1045: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7419,7422,7424 
WEIGHTS
Center is computed as a weighted average
=12,12,16
bead1046: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7425,7442,7444 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead1047: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7427,7441 
WEIGHTS
Center is computed as a weighted average
=14,12
bead1048: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7436,7437,7440 
WEIGHTS
Center is computed as a weighted average
=12,14,14
bead1049: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7432,7433,7434 
WEIGHTS
Center is computed as a weighted average
=12,16,14
bead1050: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7428,7430,7431 
WEIGHTS
Center is computed as a weighted average
=12,14,12
bead1051: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7448,7449,7450,7451,7447 
WEIGHTS
Center is computed as a weighted average
=31,16,16,16,16
bead1052: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7452,7455,7457 
WEIGHTS
Center is computed as a weighted average
=12,12,16
bead1053: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7458,7474,7476 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead1054: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7460,7473 
WEIGHTS
Center is computed as a weighted average
=14,12
bead1055: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7470,7472 
WEIGHTS
Center is computed as a weighted average
=12,14
bead1056: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7465,7466,7469 
WEIGHTS
Center is computed as a weighted average
=12,14,14
bead1057: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7461,7463,7464 
WEIGHTS
Center is computed as a weighted average
=12,14,12
bead1058: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7480,7481,7482,7483,7479 
WEIGHTS
Center is computed as a weighted average
=31,16,16,16,16
bead1059: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7484,7487,7489 
WEIGHTS
Center is computed as a weighted average
=12,12,16
bead1060: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7490,7506,7508 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead1061: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7492,7493 
WEIGHTS
Center is computed as a weighted average
=14,12
bead1062: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7502,7504,7505 
WEIGHTS
Center is computed as a weighted average
=14,12,16
bead1063: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7495,7496,7500,7501 
WEIGHTS
Center is computed as a weighted average
=12,12,12,16
bead1064: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7512,7513,7514,7515,7511 
WEIGHTS
Center is computed as a weighted average
=31,16,16,16,16
bead1065: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7516,7519,7521 
WEIGHTS
Center is computed as a weighted average
=12,12,16
bead1066: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7522,7538,7540 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead1067: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7524,7525 
WEIGHTS
Center is computed as a weighted average
=14,12
bead1068: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7534,7536,7537 
WEIGHTS
Center is computed as a weighted average
=14,12,16
bead1069: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7527,7528,7532,7533 
WEIGHTS
Center is computed as a weighted average
=12,12,12,16
bead1070: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7544,7545,7546,7547,7543 
WEIGHTS
Center is computed as a weighted average
=31,16,16,16,16
bead1071: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7548,7551,7553 
WEIGHTS
Center is computed as a weighted average
=12,12,16
bead1072: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7554,7570,7572 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead1073: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7556,7557 
WEIGHTS
Center is computed as a weighted average
=14,12
bead1074: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7566,7568,7569 
WEIGHTS
Center is computed as a weighted average
=14,12,16
bead1075: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7559,7560,7564,7565 
WEIGHTS
Center is computed as a weighted average
=12,12,12,16
bead1076: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7576,7577,7578,7579,7575 
WEIGHTS
Center is computed as a weighted average
=31,16,16,16,16
bead1077: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7580,7583,7585 
WEIGHTS
Center is computed as a weighted average
=12,12,16
bead1078: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7586,7603,7605 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead1079: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7588,7602 
WEIGHTS
Center is computed as a weighted average
=14,12
bead1080: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7597,7598,7601 
WEIGHTS
Center is computed as a weighted average
=12,14,14
bead1081: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7593,7594,7595 
WEIGHTS
Center is computed as a weighted average
=12,16,14
bead1082: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7589,7591,7592 
WEIGHTS
Center is computed as a weighted average
=12,14,12
bead1083: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7609,7610,7611,7612,7608 
WEIGHTS
Center is computed as a weighted average
=31,16,16,16,16
bead1084: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7613,7616,7618 
WEIGHTS
Center is computed as a weighted average
=12,12,16
bead1085: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7619,7636,7638 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead1086: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7621,7635 
WEIGHTS
Center is computed as a weighted average
=14,12
bead1087: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7630,7631,7634 
WEIGHTS
Center is computed as a weighted average
=12,14,14
bead1088: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7626,7627,7628 
WEIGHTS
Center is computed as a weighted average
=12,16,14
bead1089: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7622,7624,7625 
WEIGHTS
Center is computed as a weighted average
=12,14,12
bead1090: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7642,7643,7644,7645,7641 
WEIGHTS
Center is computed as a weighted average
=31,16,16,16,16
bead1091: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7646,7649,7651 
WEIGHTS
Center is computed as a weighted average
=12,12,16
bead1092: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7652,7666,7668 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead1093: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7654,7655 
WEIGHTS
Center is computed as a weighted average
=14,12
bead1094: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7663,7664,7665 
WEIGHTS
Center is computed as a weighted average
=14,12,16
bead1095: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7657,7659,7660 
WEIGHTS
Center is computed as a weighted average
=12,12,14
bead1096: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7672,7673,7674,7675,7671 
WEIGHTS
Center is computed as a weighted average
=31,16,16,16,16
bead1097: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7676,7679,7681 
WEIGHTS
Center is computed as a weighted average
=12,12,16
bead1098: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7682,7699,7701 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead1099: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7684,7698 
WEIGHTS
Center is computed as a weighted average
=14,12
bead1100: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7693,7694,7697 
WEIGHTS
Center is computed as a weighted average
=12,14,14
bead1101: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7689,7690,7691 
WEIGHTS
Center is computed as a weighted average
=12,16,14
bead1102: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7685,7687,7688 
WEIGHTS
Center is computed as a weighted average
=12,14,12
bead1103: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7705,7706,7707,7708,7704 
WEIGHTS
Center is computed as a weighted average
=31,16,16,16,16
bead1104: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7709,7712,7714 
WEIGHTS
Center is computed as a weighted average
=12,12,16
bead1105: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7715,7729,7731 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead1106: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7717,7718 
WEIGHTS
Center is computed as a weighted average
=14,12
bead1107: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7726,7727,7728 
WEIGHTS
Center is computed as a weighted average
=14,12,16
bead1108: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7720,7722,7723 
WEIGHTS
Center is computed as a weighted average
=12,12,14
bead1109: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7735,7736,7737,7738,7734 
WEIGHTS
Center is computed as a weighted average
=31,16,16,16,16
bead1110: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7739,7742,7744 
WEIGHTS
Center is computed as a weighted average
=12,12,16
bead1111: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7745,7762,7764 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead1112: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7747,7761 
WEIGHTS
Center is computed as a weighted average
=14,12
bead1113: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7756,7757,7760 
WEIGHTS
Center is computed as a weighted average
=12,14,14
bead1114: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7752,7753,7754 
WEIGHTS
Center is computed as a weighted average
=12,16,14
bead1115: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7748,7750,7751 
WEIGHTS
Center is computed as a weighted average
=12,14,12
bead1116: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7768,7769,7770,7771,7767 
WEIGHTS
Center is computed as a weighted average
=31,16,16,16,16
bead1117: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7772,7775,7777 
WEIGHTS
Center is computed as a weighted average
=12,12,16
bead1118: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7778,7794,7796 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead1119: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7780,7781 
WEIGHTS
Center is computed as a weighted average
=14,12
bead1120: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7790,7792,7793 
WEIGHTS
Center is computed as a weighted average
=14,12,16
bead1121: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7783,7784,7788,7789 
WEIGHTS
Center is computed as a weighted average
=12,12,12,16
bead1122: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7800,7801,7802,7803,7799 
WEIGHTS
Center is computed as a weighted average
=31,16,16,16,16
bead1123: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7804,7807,7809 
WEIGHTS
Center is computed as a weighted average
=12,12,16
bead1124: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7810,7826,7828 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead1125: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7812,7825 
WEIGHTS
Center is computed as a weighted average
=14,12
bead1126: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7822,7824 
WEIGHTS
Center is computed as a weighted average
=12,14
bead1127: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7817,7818,7821 
WEIGHTS
Center is computed as a weighted average
=12,14,14
bead1128: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7813,7815,7816 
WEIGHTS
Center is computed as a weighted average
=12,14,12
bead1129: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7832,7833,7834,7835,7831 
WEIGHTS
Center is computed as a weighted average
=31,16,16,16,16
bead1130: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7836,7839,7841 
WEIGHTS
Center is computed as a weighted average
=12,12,16
bead1131: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7842,7858,7860 
WEIGHTS
Center is computed as a weighted average
=12,12,12
bead1132: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7844,7857 
WEIGHTS
Center is computed as a weighted average
=14,12
bead1133: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7854,7856 
WEIGHTS
Center is computed as a weighted average
=12,14
bead1134: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7849,7850,7853 
WEIGHTS
Center is computed as a weighted average
=12,14,14
bead1135: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7845,7847,7848 
WEIGHTS
Center is computed as a weighted average
=12,14,12
bead1136: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7864,7865,7866,7867,7863 
WEIGHTS
Center is computed as a weighted average
=31,16,16,16,16
bead1137: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7868,7871,7873 
WEIGHTS
Center is computed as a weighted average
=12,12,16
bead1138: 
CENTER
Calculate the center for a group of atoms, with arbitrary weights. More details
 
NOPBC
 ignore the periodic boundary conditions when calculating distances
 
ATOMS
the list of atoms which are involved the virtual atom's definition
=7