Project ID: plumID:19.012
Source: paissoni2019_martiniSAXS/Protein-RNA/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
#SETTINGS NATOMS=103421MOLINFOThis command is used to provide information on the molecules that are present in your system. More detailsSTRUCTURE=aacgmodel.pdba file in pdb format containing a reference structureWHOLEMOLECULESThis action is used to rebuild molecules that can become split by the periodic boundary conditions. More detailsENTITY0=1-1393,3125-3349,1372-2938,3320-3511,2262-3124the atoms that make up a molecule that you wish to align
### BEADS DEFINITIONINCLUDEIncludes an external input file, similar to #include in C preprocessor. More details. Show included fileFILE=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:file to be includedCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1,2,3,4,5,8,9the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,1,1,12,12,16 bead2:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=10,11,12,14,18,19the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,12,16 bead3:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=20,21,22,35,36the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead4:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=24,27,30,31the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,32,12 bead5:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=37,38,39,42,43the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead6:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=44,45,46,53,54the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead7:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=48,51,52the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,16,1 bead8:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=55,56,57,75,76the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead9:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=59,62,65the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12 bead10:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=68,71,72,73,74the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,14,1,1,1 bead11:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=77,78,79,86,87the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead12:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=81,84,85the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,16,1 bead13:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=88,89,90,101,102the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead14:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=92,95,98,99,100the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12,16,16 bead15:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=103,104,105,112,113the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead16:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=107,110,111the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,16,1 bead17:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=114,124,126,127the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,12,12,16 bead18:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=115,118,121the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12 bead19:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=128,129,130,148,149the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead20:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=132,135,138the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12 bead21:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=141,144,145,146,147the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,14,1,1,1 bead22:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=150,151,152,163,164the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead23:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=154,157,160,161,162the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12,16,16 bead24:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=165,175,177,178the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,12,12,16 bead25:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=166,169,172the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12 bead26:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=179,180,181,192,193the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead27:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=183,186,189,190,191the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12,16,16 bead28:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=194,195,196,209,210the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead29:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=198,201,204,205,206,207,208the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12,16,14,1,1 bead30:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=211,212,213,228,229the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead31:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=215,218,220,224the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12,12 bead32:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=230,231,232,252,253the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead33:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=234,237,240the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12 bead34:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=243,244,245,246,247,248,249,250,251the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,14,1,1,14,1,1 bead35:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=254,255,256,274,275the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead36:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=258,261,264the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12 bead37:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=267,270,271,272,273the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,14,1,1,1 bead38:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=276,277,278,293,294the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead39:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=280,283,285,289the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12,12 bead40:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=295,296,297,313,314the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead41:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=299,302,303,304the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12,1 bead42:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=309,310,311,312the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,1,12,1 bead43:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=305,306,307,308the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,1,12,1 bead44:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=315,316,317,332,333the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead45:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=319,321,325,328the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12,12 bead46:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=334,335,336,339,340the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead47:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=341,342,343,346,347the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead48:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=348,349,350,365,366the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead49:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=352,355,357,361the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12,12 bead50:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=367,368,369,376,377the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead51:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=371,374,375the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,16,1 bead52:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=378,379,380,396,397the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead53:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=382,385,386,387the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12,1 bead54:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=392,393,394,395the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,1,12,1 bead55:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=388,389,390,391the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,1,12,1 bead56:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=398,399,400,411,412the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead57:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=402,405,408,409,410the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12,16,16 bead58:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=413,414,415,425,426the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead59:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=417,419,423,424the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,16,1 bead60:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=427,428,429,439,440the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead61:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=431,433,437,438the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,16,1 bead62:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=441,442,443,451,452the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead63:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=445,448,449,450the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,16,16 bead64:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=453,454,455,466,467the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead65:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=457,460,463,464,465the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12,16,16 bead66:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=468,469,470,477,478the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead67:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=472,475,476the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,16,1 bead68:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=479,480,481,496,497the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead69:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=483,486,488,492the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12,12 bead70:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=498,499,500,520,521the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead71:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=502,505,508the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12 bead72:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=511,512,513,514,515,516,517,518,519the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,14,1,1,14,1,1 bead73:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=522,523,524,531,532the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead74:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=526,529,530the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,16,1 bead75:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=533,534,535,548,549the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead76:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=537,540the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12 bead77:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=544,545,546,547the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,1 bead78:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=541,542,543the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,12,1 bead79:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=550,551,552,568,569the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead80:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=554,557,558,559the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12,1 bead81:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=564,565,566,567the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,1,12,1 bead82:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=560,561,562,563the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,1,12,1 bead83:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=570,571,572,583,584the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead84:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=574,577,580,581,582the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12,16,16 bead85:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=585,586,587,600,601the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead86:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=589,592,595,596,597,598,599the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12,16,14,1,1 bead87:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=602,603,604,624,625the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead88:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=606,609,623the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12 bead89:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=610,611,612,613,614the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,1,14,1,12 bead90:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=619,620,621,622the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,1,12,1 bead91:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=615,616,617,618the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,1,12,1 bead92:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=626,627,628,631,632the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead93:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=633,634,635,645,646the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead94:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=637,639,643,644the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,16,1 bead95:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=647,648,649,664,665the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead96:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=651,654,656,660the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12,12 bead97:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=666,667,668,678,679the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead98:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=670,672,676,677the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,16,1 bead99:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=680,681,682,690,691the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead100:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=684,687,688,689the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,16,16 bead101:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=692,693,694,701,702the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead102:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=696,699the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,32 bead103:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=703,704,705,717,718the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead104:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=707,709,713the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12 bead105:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=719,720,721,733,734the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead106:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=723,725,729the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12 bead107:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=735,736,737,750,751the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead108:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=739,742,745,746the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,32,12 bead109:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=752,753,754,774,775the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead110:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=756,759,762the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12 bead111:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=765,766,767,768,769,770,771,772,773the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,14,1,1,14,1,1 bead112:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=776,777,778,786,787the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead113:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=780,783,784,785the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,16,16 bead114:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=788,798,800,801the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,12,12,16 bead115:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=789,792,795the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12 bead116:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=802,803,804,814,815the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead117:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=806,809,810,811,812,813the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,16,14,1,1 bead118:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=816,817,818,828,829the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead119:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=820,822,826,827the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,16,1 bead120:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=830,831,832,850,851the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead121:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=834,837,840the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12 bead122:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=843,846,847,848,849the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,14,1,1,1 bead123:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=852,853,854,874,875the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead124:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=856,859,862the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12 bead125:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=865,866,867,868,869,870,871,872,873the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,14,1,1,14,1,1 bead126:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=876,877,878,885,886the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead127:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=880,883,884the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,16,1 bead128:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=887,888,889,909,910the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead129:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=891,894,897the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12 bead130:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=900,901,902,903,904,905,906,907,908the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,14,1,1,14,1,1 bead131:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=911,912,913,916,917the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead132:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=918,919,920,936,937the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead133:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=922,925,926,927the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12,1 bead134:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=932,933,934,935the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,1,12,1 bead135:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=928,929,930,931the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,1,12,1 bead136:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=938,939,940,943,944the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead137:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=945,946,947,963,964the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead138:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=949,952,953,954the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12,1 bead139:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=959,960,961,962the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,1,12,1 bead140:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=955,956,957,958the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,1,12,1 bead141:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=965,966,967,979,980the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead142:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=969,971,975the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12 bead143:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=981,982,983,993,994the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead144:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=985,987,991,992the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,16,1 bead145:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=995,996,997,1014,1015the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead146:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=999,1002,1003,1004the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12,1 bead147:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1010,1011,1012,1013the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,1,12,1 bead148:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1005,1006,1007,1008,1009the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,1,12,16,1 bead149:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1016,1017,1018,1020,1024,1025the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,12,16 bead150:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1026,1027,1028,1038,1039the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead151:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1030,1032,1036,1037the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,16,1 bead152:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1040,1041,1042,1054,1055the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead153:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1044,1046,1050the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12 bead154:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1056,1057,1058,1069,1070the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead155:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1060,1063,1066,1067,1068the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12,16,16 bead156:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1071,1072,1073,1084,1085the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead157:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1075,1078,1081,1082,1083the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12,16,16 bead158:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1086,1087,1088,1100,1101the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead159:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1090,1092,1096the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12 bead160:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1102,1103,1104,1112,1113the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead161:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1106,1109,1110,1111the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,16,16 bead162:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1114,1115,1116,1118,1122,1123the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,12,16 bead163:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1124,1125,1126,1128,1132,1133the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,12,16 bead164:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1134,1135,1136,1149,1150the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead165:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1138,1141,1144,1145the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,32,12 bead166:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1151,1152,1153,1163,1164the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead167:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1155,1158,1159,1160,1161,1162the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,16,14,1,1 bead168:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1165,1166,1167,1169,1173,1174the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,12,16 bead169:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1175,1176,1177,1197,1198the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead170:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1179,1182,1185the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12 bead171:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1188,1189,1190,1191,1192,1193,1194,1195,1196the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,14,1,1,14,1,1 bead172:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1199,1209,1211,1212the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,12,12,16 bead173:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1200,1203,1206the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12 bead174:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1213,1214,1215,1228,1229the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead175:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1217,1220the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12 bead176:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1224,1225,1226,1227the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,1 bead177:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1221,1222,1223the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,12,1 bead178:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1230,1231,1232,1250,1251the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead179:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1234,1237,1240the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12 bead180:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1243,1246,1247,1248,1249the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,14,1,1,1 bead181:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1252,1253,1254,1266,1267the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead182:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1256,1258,1262the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12 bead183:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1268,1269,1270,1278,1279the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead184:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1272,1275,1276,1277the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,16,16 bead185:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1280,1281,1282,1285,1286the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead186:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1287,1288,1289,1309,1310the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead187:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1291,1294,1297the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12 bead188:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1300,1301,1302,1303,1304,1305,1306,1307,1308the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,14,1,1,14,1,1 bead189:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1311,1312,1313,1325,1326the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead190:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1315,1317,1321the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12 bead191:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1327,1328,1329,1341,1342the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead192:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1331,1333,1337the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12 bead193:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1343,1344,1345,1356,1357the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead194:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1347,1350,1353,1354,1355the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12,16,16 bead195:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1358,1368,1370,1371the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,12,12,16 bead196:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1359,1362,1365the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12 bead197:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1372,1373,1374,1392,1393the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead198:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1376,1379,1382the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12 bead199:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1385,1388,1389,1390,1391the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,14,1,1,1 bead200:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1394,1395,1396,1416,1417the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead201:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1398,1401,1404the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12 bead202:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1407,1408,1409,1410,1411,1412,1413,1414,1415the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,14,1,1,14,1,1 bead203:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1418,1419,1420,1422,1426,1427the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,12,16 bead204:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1428,1429,1430,1442,1443the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead205:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1432,1434,1438the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12 bead206:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1444,1445,1446,1453,1454the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead207:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1448,1451,1452the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,16,1 bead208:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1455,1456,1457,1477,1478the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead209:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1459,1462,1465the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12 bead210:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1468,1469,1470,1471,1472,1473,1474,1475,1476the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,14,1,1,14,1,1 bead211:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1479,1480,1481,1492,1493the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead212:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1483,1486,1489,1490,1491the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12,16,16 bead213:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1494,1495,1496,1504,1505the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead214:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1498,1501,1502,1503the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,16,16 bead215:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1506,1507,1508,1515,1516the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead216:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1510,1513,1514the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,16,1 bead217:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1517,1518,1519,1532,1533the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead218:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1521,1524,1527,1528,1529,1530,1531the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12,16,14,1,1 bead219:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1534,1535,1536,1556,1557the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead220:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1538,1541,1544the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12 bead221:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1547,1548,1549,1550,1551,1552,1553,1554,1555the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,14,1,1,14,1,1 bead222:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1558,1568,1570,1571the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,12,12,16 bead223:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1559,1562,1565the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12 bead224:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1572,1573,1574,1577,1578the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead225:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1579,1580,1581,1583,1587,1588the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,12,16 bead226:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1589,1590,1591,1604,1605the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead227:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1593,1596the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12 bead228:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1600,1601,1602,1603the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,1 bead229:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1597,1598,1599the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,12,1 bead230:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1606,1607,1608,1623,1624the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead231:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1610,1613,1615,1619the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12,12 bead232:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1625,1626,1627,1637,1638the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead233:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1629,1631,1635,1636the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,16,1 bead234:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1639,1640,1641,1653,1654the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead235:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1643,1645,1649the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12 bead236:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1655,1656,1657,1675,1676the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead237:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1659,1662,1665the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12 bead238:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1668,1671,1672,1673,1674the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,14,1,1,1 bead239:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1677,1678,1679,1697,1698the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead240:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1681,1684,1687the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12 bead241:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1690,1693,1694,1695,1696the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,14,1,1,1 bead242:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1699,1700,1701,1716,1717the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead243:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1703,1705,1709,1712the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12,12 bead244:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1718,1719,1720,1736,1737the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead245:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1722,1725,1726,1727the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12,1 bead246:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1732,1733,1734,1735the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,1,12,1 bead247:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1728,1729,1730,1731the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,1,12,1 bead248:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1738,1739,1740,1752,1753the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead249:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1742,1744,1748the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12 bead250:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1754,1755,1756,1759,1760the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead251:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1761,1762,1763,1766,1767the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead252:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1768,1769,1770,1785,1786the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead253:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1772,1774,1778,1781the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12,12 bead254:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1787,1788,1789,1807,1808the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead255:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1791,1794,1797the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12 bead256:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1800,1803,1804,1805,1806the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,14,1,1,1 bead257:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1809,1810,1811,1822,1823the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead258:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1813,1816,1819,1820,1821the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12,16,16 bead259:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1824,1825,1826,1834,1835the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead260:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1828,1831,1832,1833the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,16,16 bead261:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1836,1837,1838,1848,1849the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead262:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1840,1842,1846,1847the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,16,1 bead263:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1850,1851,1852,1863,1864the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead264:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1854,1857,1860,1861,1862the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12,16,16 bead265:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1865,1866,1867,1878,1879the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead266:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1869,1872,1875,1876,1877the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12,16,16 bead267:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1880,1881,1882,1895,1896the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead268:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1884,1887the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12 bead269:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1891,1892,1893,1894the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,1 bead270:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1888,1889,1890the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,12,1 bead271:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1897,1898,1899,1912,1913the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead272:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1901,1904the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12 bead273:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1908,1909,1910,1911the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,1 bead274:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1905,1906,1907the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,12,1 bead275:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1914,1915,1916,1931,1932the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead276:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1918,1921,1923,1927the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12,12 bead277:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1933,1934,1935,1955,1956the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead278:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1937,1940,1943the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12 bead279:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1946,1947,1948,1949,1950,1951,1952,1953,1954the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,14,1,1,14,1,1 bead280:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1957,1958,1959,1967,1968the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead281:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1961,1964,1965,1966the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,16,16 bead282:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1969,1970,1971,1988,1989the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead283:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1973,1976,1977,1978the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12,1 bead284:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1984,1985,1986,1987the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,1,12,1 bead285:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1979,1980,1981,1982,1983the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,1,12,16,1 bead286:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1990,1991,1992,2008,2009the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead287:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=1994,1997,1998,1999the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12,1 bead288:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2004,2005,2006,2007the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,1,12,1 bead289:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2000,2001,2002,2003the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,1,12,1 bead290:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2010,2011,2012,2023,2024the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead291:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2014,2017,2020,2021,2022the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12,16,16 bead292:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2025,2026,2027,2040,2041the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead293:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2029,2032,2035,2036,2037,2038,2039the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12,16,14,1,1 bead294:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2042,2043,2044,2061,2062the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead295:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2046,2049,2050,2051the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12,1 bead296:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2057,2058,2059,2060the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,1,12,1 bead297:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2052,2053,2054,2055,2056the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,1,12,16,1 bead298:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2063,2064,2065,2068,2069the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead299:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2070,2071,2072,2090,2091the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead300:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2074,2077,2080the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12 bead301:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2083,2086,2087,2088,2089the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,14,1,1,1 bead302:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2092,2093,2094,2109,2110the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead303:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2096,2098,2102,2105the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12,12 bead304:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2111,2112,2113,2124,2125the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead305:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2115,2118,2121,2122,2123the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12,16,16 bead306:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2126,2127,2128,2140,2141the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead307:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2130,2132,2136the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12 bead308:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2142,2143,2144,2159,2160the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead309:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2146,2148,2152,2155the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12,12 bead310:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2161,2162,2163,2174,2175the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead311:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2165,2168,2171,2172,2173the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12,16,16 bead312:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2176,2177,2178,2193,2194the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead313:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2180,2182,2186,2189the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12,12 bead314:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2195,2196,2197,2210,2211the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead315:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2199,2202,2205,2206the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,32,12 bead316:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2212,2213,2214,2224,2225the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead317:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2216,2218,2222,2223the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,16,1 bead318:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2226,2227,2228,2236,2237the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead319:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2230,2233,2234,2235the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,16,16 bead320:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2238,2239,2240,2260,2261the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead321:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2242,2245,2248the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12 bead322:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2251,2252,2253,2254,2255,2256,2257,2258,2259the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,14,1,1,14,1,1 bead323:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2262,2263,2264,2267,2268the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead324:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2269,2270,2271,2278,2279the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead325:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2273,2276,2277the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,16,1 bead326:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2280,2281,2282,2285,2286the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead327:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2287,2288,2289,2307,2308the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead328:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2291,2294,2297the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12 bead329:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2300,2303,2304,2305,2306the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,14,1,1,1 bead330:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2309,2310,2311,2329,2330the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead331:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2313,2316,2319the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12 bead332:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2322,2325,2326,2327,2328the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,14,1,1,1 bead333:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2331,2332,2333,2353,2354the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead334:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2335,2338,2341the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12 bead335:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2344,2345,2346,2347,2348,2349,2350,2351,2352the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,14,1,1,14,1,1 bead336:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2355,2356,2357,2360,2361the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead337:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2362,2363,2364,2380,2381the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead338:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2366,2369,2370,2371the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12,1 bead339:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2376,2377,2378,2379the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,1,12,1 bead340:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2372,2373,2374,2375the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,1,12,1 bead341:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2382,2383,2384,2386,2390,2391the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,12,16 bead342:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2392,2393,2394,2410,2411the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead343:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2396,2399,2400,2401the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12,1 bead344:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2406,2407,2408,2409the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,1,12,1 bead345:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2402,2403,2404,2405the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,1,12,1 bead346:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2412,2413,2414,2426,2427the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead347:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2416,2418,2422the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12 bead348:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2428,2429,2430,2440,2441the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead349:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2432,2434,2438,2439the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,16,1 bead350:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2442,2443,2444,2460,2461the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead351:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2446,2449,2450,2451the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12,1 bead352:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2456,2457,2458,2459the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,1,12,1 bead353:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2452,2453,2454,2455the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,1,12,1 bead354:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2462,2463,2464,2472,2473the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead355:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2466,2469,2470,2471the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,16,16 bead356:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2474,2475,2476,2484,2485the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead357:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2478,2481,2482,2483the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,16,16 bead358:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2486,2487,2488,2501,2502the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead359:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2490,2493the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12 bead360:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2497,2498,2499,2500the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,1 bead361:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2494,2495,2496the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,12,1 bead362:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2503,2504,2505,2513,2514the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead363:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2507,2510,2511,2512the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,16,16 bead364:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2515,2516,2517,2524,2525the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead365:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2519,2522,2523the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,16,1 bead366:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2526,2527,2528,2540,2541the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead367:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2530,2532,2536the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12 bead368:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2542,2543,2544,2552,2553the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead369:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2546,2549,2550,2551the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,16,16 bead370:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2554,2555,2556,2574,2575the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead371:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2558,2561,2564the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12 bead372:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2567,2570,2571,2572,2573the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,14,1,1,1 bead373:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2576,2577,2578,2593,2594the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead374:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2580,2582,2586,2589the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12,12 bead375:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2595,2596,2597,2609,2610the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead376:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2599,2601,2605the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12 bead377:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2611,2612,2613,2628,2629the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead378:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2615,2617,2621,2624the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12,12 bead379:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2630,2631,2632,2645,2646the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead380:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2634,2637,2640,2641,2642,2643,2644the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12,16,14,1,1 bead381:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2647,2648,2649,2667,2668the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead382:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2651,2654,2657the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12 bead383:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2660,2663,2664,2665,2666the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,14,1,1,1 bead384:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2669,2670,2671,2688,2689the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead385:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2673,2676,2677,2678the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12,1 bead386:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2684,2685,2686,2687the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,1,12,1 bead387:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2679,2680,2681,2682,2683the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,1,12,16,1 bead388:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2690,2691,2692,2705,2706the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead389:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2694,2697the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12 bead390:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2702,2703,2704the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,12,1 bead391:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2698,2699,2700,2701the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,1 bead392:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2707,2708,2709,2719,2720the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead393:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2711,2713,2717,2718the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,16,1 bead394:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2721,2722,2723,2735,2736the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead395:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2725,2727,2731the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12 bead396:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2737,2738,2739,2749,2750the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead397:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2741,2744,2745,2746,2747,2748the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,16,14,1,1 bead398:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2751,2752,2753,2756,2757the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead399:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2758,2759,2760,2773,2774the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead400:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2762,2765the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12 bead401:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2769,2770,2771,2772the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,1 bead402:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2766,2767,2768the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,12,1 bead403:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2775,2776,2777,2787,2788the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead404:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2779,2782,2783,2784,2785,2786the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,16,14,1,1 bead405:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2789,2790,2791,2798,2799the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead406:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2793,2796the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,32 bead407:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2800,2801,2802,2813,2814the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead408:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2804,2807,2810,2811,2812the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12,16,16 bead409:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2815,2816,2817,2829,2830the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead410:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2819,2821,2825the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12 bead411:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2831,2832,2833,2853,2854the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead412:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2835,2838,2841the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12 bead413:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2844,2845,2846,2847,2848,2849,2850,2851,2852the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,14,1,1,14,1,1 bead414:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2855,2856,2857,2875,2876the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead415:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2859,2862,2865the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12 bead416:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2868,2871,2872,2873,2874the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,14,1,1,1 bead417:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2877,2878,2879,2881,2885,2886the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,12,16 bead418:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2887,2888,2889,2904,2905the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead419:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2891,2894,2896,2900the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12,12 bead420:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2906,2907,2908,2915,2916the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead421:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2910,2913,2914the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,16,1 bead422:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2917,2918,2919,2937,2938the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead423:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2921,2924,2927the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12 bead424:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2930,2933,2934,2935,2936the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,14,1,1,1 bead425:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2939,2940,2941,2954,2955the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead426:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2943,2946,2949,2950,2951,2952,2953the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12,16,14,1,1 bead427:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2956,2957,2958,2969,2970the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead428:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2960,2963,2966,2967,2968the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12,16,16 bead429:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2971,2972,2973,2986,2987the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead430:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2975,2978,2981,2982the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,32,12 bead431:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2988,2989,2990,2992,2996,2997the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,12,16 bead432:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=2998,2999,3000,3007,3008the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead433:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=3002,3005,3006the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,16,1 bead434:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=3009,3010,3011,3013,3017,3018the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,12,16 bead435:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=3019,3020,3021,3028,3029the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead436:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=3023,3026,3027the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,16,1 bead437:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=3030,3031,3032,3039,3040the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead438:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=3034,3037,3038the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,16,1 bead439:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=3041,3042,3043,3050,3051the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead440:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=3045,3048,3049the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,16,1 bead441:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=3052,3053,3054,3067,3068the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead442:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=3056,3059,3062,3063,3064,3065,3066the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12,16,14,1,1 bead443:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=3069,3070,3071,3091,3092the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead444:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=3073,3076,3079the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12 bead445:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=3082,3083,3084,3085,3086,3087,3088,3089,3090the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,14,1,1,14,1,1 bead446:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=3093,3094,3095,3098,3099the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16 bead447:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=3100,3101,3102,3122,3123,3124the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,12,16,16 bead448:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=3104,3107,3110the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12 bead449:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=3113,3114,3115,3116,3117,3118,3119,3120,3121the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,1,12,14,1,1,14,1,1 bead450:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=3127,3130,3132the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,16 bead451:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=3133,3149,3151,3153the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12,16 bead452:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=3135,3148the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,12 bead453:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=3145,3147the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,14 bead454:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=3140,3141,3144the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,14,14 bead455:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=3136,3138,3139the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,14,12 bead456:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=3156,3157,3158,3159,3155the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=31,16,16,16,16 bead457:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=3160,3163,3165the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,16 bead458:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=3166,3183,3185,3187the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12,16 bead459:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=3168,3182the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,12 bead460:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=3177,3178,3181the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,14,14 bead461:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=3173,3174,3175the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,16,14 bead462:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=3169,3171,3172the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,14,12 bead463:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=3190,3191,3192,3193,3189the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=31,16,16,16,16 bead464:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=3194,3197,3199the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,16 bead465:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=3200,3213,3215,3217the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12,16 bead466:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=3202,3203the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,12 bead467:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=3209,3211,3212the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,12,16 bead468:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=3205,3207,3208the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,16 bead469:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=3220,3221,3222,3223,3219the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=31,16,16,16,16 bead470:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=3224,3227,3229the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,16 bead471:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=3230,3246,3248,3250the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12,16 bead472:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=3232,3245the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,12 bead473:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=3242,3244the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,14 bead474:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=3237,3238,3241the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,14,14 bead475:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=3233,3235,3236the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,14,12 bead476:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=3253,3254,3255,3256,3252the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=31,16,16,16,16 bead477:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=3257,3260,3262the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,16 bead478:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=3263,3280,3282,3284the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12,16 bead479:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=3265,3279the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,12 bead480:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=3274,3275,3278the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,14,14 bead481:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=3270,3271,3272the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,16,14 bead482:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=3266,3268,3269the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,14,12 bead483:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=3287,3288,3289,3290,3286the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=31,16,16,16,16 bead484:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=3291,3294,3296the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,16 bead485:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=3297,3313,3315,3317the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12,16 bead486:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=3299,3312the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,12 bead487:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=3309,3311the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,14 bead488:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=3304,3305,3308the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,14,14 bead489:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=3300,3302,3303the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,14,12 bead490:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=3320,3321,3322,3323,3319the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=31,16,16,16,16 bead491:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=3324,3327,3329the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,16 bead492:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=3330,3343,3345,3347the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12,16 bead493:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=3332,3333the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,12 bead494:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=3339,3341,3342the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,12,16 bead495:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=3335,3337,3338the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,16 bead496:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=3350,3351,3352,3353,3349the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=31,16,16,16,16 bead497:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=3354,3357,3359the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,16 bead498:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=3360,3373,3375,3377the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12,16 bead499:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=3362,3363the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,12 bead500:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=3369,3371,3372the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,12,16 bead501:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=3365,3367,3368the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,16 bead502:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=3380,3381,3382,3383,3379the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=31,16,16,16,16 bead503:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=3384,3387,3389the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,16 bead504:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=3390,3406,3408,3410the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12,16 bead505:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=3392,3405the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,12 bead506:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=3402,3404the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,14 bead507:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=3397,3398,3401the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,14,14 bead508:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=3393,3395,3396the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,14,12 bead509:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=3413,3414,3415,3416,3412the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=31,16,16,16,16 bead510:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=3417,3420,3422the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,16 bead511:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=3423,3440,3442,3444the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12,16 bead512:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=3425,3439the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,12 bead513:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=3434,3435,3438the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,14,14 bead514:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=3430,3431,3432the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,16,14 bead515:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=3426,3428,3429the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,14,12 bead516:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=3447,3448,3449,3450,3446the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=31,16,16,16,16 bead517:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=3451,3454,3456the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,16 bead518:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=3457,3471,3473,3475the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12,16 bead519:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=3459,3460the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,12 bead520:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=3468,3469,3470the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,12,16 bead521:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=3462,3464,3465the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,14 bead522:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=3478,3479,3480,3481,3477the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=31,16,16,16,16 bead523:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=3482,3485,3487the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,16 bead524:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=3488,3504,3506,3508the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,12,12,16 bead525:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=3490,3503the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=14,12 bead526:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=3500,3502the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,14 bead527:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=3495,3496,3499the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,14,14 bead528:what weights should be used when calculating the centerCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsNOPBCignore the periodic boundary conditions when calculating distancesATOMS=3491,3493,3494the group of atoms that you are calculating the Gyration Tensor forWEIGHTS=12,14,12what weights should be used when calculating the center
martini:GROUPDefine a group of atoms so that a particular list of atoms can be referenced with a single label in definitions of CVs or virtual atoms. More detailsATOMS=bead1,bead2,bead3,bead4,bead5,bead6,bead7,bead8,bead9,bead10,bead11,bead12,bead13,bead14,bead15,bead16,bead17,bead18,bead19,bead20,bead21,bead22,bead23,bead24,bead25,bead26,bead27,bead28,bead29,bead30,bead31,bead32,bead33,bead34,bead35,bead36,bead37,bead38,bead39,bead40,bead41,bead42,bead43,bead44,bead45,bead46,bead47,bead48,bead49,bead50,bead51,bead52,bead53,bead54,bead55,bead56,bead57,bead58,bead59,bead60,bead61,bead62,bead63,bead64,bead65,bead66,bead67,bead68,bead69,bead70,bead71,bead72,bead73,bead74,bead75,bead76,bead77,bead78,bead79,bead80,bead81,bead82,bead83,bead84,bead85,bead86,bead87,bead88,bead89,bead90,bead91,bead92,bead93,bead94,bead95,bead96,bead97,bead98,bead99,bead100,bead101,bead102,bead103,bead104,bead105,bead106,bead107,bead108,bead109,bead110,bead111,bead112,bead113,bead114,bead115,bead116,bead117,bead118,bead119,bead120,bead121,bead122,bead123,bead124,bead125,bead126,bead127,bead128,bead129,bead130,bead131,bead132,bead133,bead134,bead135,bead136,bead137,bead138,bead139,bead140,bead141,bead142,bead143,bead144,bead145,bead146,bead147,bead148,bead149,bead150,bead151,bead152,bead153,bead154,bead155,bead156,bead157,bead158,bead159,bead160,bead161,bead162,bead163,bead164,bead165,bead166,bead167,bead168,bead169,bead170,bead171,bead172,bead173,bead174,bead175,bead176,bead177,bead178,bead179,bead180,bead181,bead182,bead183,bead184,bead185,bead186,bead187,bead188,bead189,bead190,bead191,bead192,bead193,bead194,bead195,bead196,bead197,bead198,bead199,bead200,bead201,bead202,bead203,bead204,bead205,bead206,bead207,bead208,bead209,bead210,bead211,bead212,bead213,bead214,bead215,bead216,bead217,bead218,bead219,bead220,bead221,bead222,bead223,bead224,bead225,bead226,bead227,bead228,bead229,bead230,bead231,bead232,bead233,bead234,bead235,bead236,bead237,bead238,bead239,bead240,bead241,bead242,bead243,bead244,bead245,bead246,bead247,bead248,bead249,bead250,bead251,bead252,bead253,bead254,bead255,bead256,bead257,bead258,bead259,bead260,bead261,bead262,bead263,bead264,bead265,bead266,bead267,bead268,bead269,bead270,bead271,bead272,bead273,bead274,bead275,bead276,bead277,bead278,bead279,bead280,bead281,bead282,bead283,bead284,bead285,bead286,bead287,bead288,bead289,bead290,bead291,bead292,bead293,bead294,bead295,bead296,bead297,bead298,bead299,bead300,bead301,bead302,bead303,bead304,bead305,bead306,bead307,bead308,bead309,bead310,bead311,bead312,bead313,bead314,bead315,bead316,bead317,bead318,bead319,bead320,bead321,bead322,bead323,bead324,bead325,bead326,bead327,bead328,bead329,bead330,bead331,bead332,bead333,bead334,bead335,bead336,bead337,bead338,bead339,bead340,bead341,bead342,bead343,bead344,bead345,bead346,bead347,bead348,bead349,bead350,bead351,bead352,bead353,bead354,bead355,bead356,bead357,bead358,bead359,bead360,bead361,bead362,bead363,bead364,bead365,bead366,bead367,bead368,bead369,bead370,bead371,bead372,bead373,bead374,bead375,bead376,bead377,bead378,bead379,bead380,bead381,bead382,bead383,bead384,bead385,bead386,bead387,bead388,bead389,bead390,bead391,bead392,bead393,bead394,bead395,bead396,bead397,bead398,bead399,bead400,bead401,bead402,bead403,bead404,bead405,bead406,bead407,bead408,bead409,bead410,bead411,bead412,bead413,bead414,bead415,bead416,bead417,bead418,bead419,bead420,bead421,bead422,bead423,bead424,bead425,bead426,bead427,bead428,bead429,bead430,bead431,bead432,bead433,bead434,bead435,bead436,bead437,bead438,bead439,bead440,bead441,bead442,bead443,bead444,bead445,bead446,bead447,bead448,bead449,bead450,bead451,bead452,bead453,bead454,bead455,bead456,bead457,bead458,bead459,bead460,bead461,bead462,bead463,bead464,bead465,bead466,bead467,bead468,bead469,bead470,bead471,bead472,bead473,bead474,bead475,bead476,bead477,bead478,bead479,bead480,bead481,bead482,bead483,bead484,bead485,bead486,bead487,bead488,bead489,bead490,bead491,bead492,bead493,bead494,bead495,bead496,bead497,bead498,bead499,bead500,bead501,bead502,bead503,bead504,bead505,bead506,bead507,bead508,bead509,bead510,bead511,bead512,bead513,bead514,bead515,bead516,bead517,bead518,bead519,bead520,bead521,bead522,bead523,bead524,bead525,bead526,bead527,bead528 # --- End of included input ---the numerical indexes for the set of atoms in the group
### RESTRAINTSINCLUDEIncludes an external input file, similar to #include in C preprocessor. More details. Show included fileFILE=plumed-restr.dat # The command: # INCLUDE FILE=plumed-restr.dat # ensures PLUMED loads the contents of the file called plumed-restr.dat # The contents of this file are shown below (click the red comment to hide them). #### RESTR ON CENTER OF RINGS ####file to be included
cPHE17:CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=the group of atoms that you are calculating the Gyration Tensor for@CG-17,the CG atom in residue 17. Click here for more information.@CD1-17,the CD1 atom in residue 17. Click here for more information.@CE1-17,the CE1 atom in residue 17. Click here for more information.@CZ-17,the CZ atom in residue 17. Click here for more information.@CE2-17,the CE2 atom in residue 17. Click here for more information.@CD2-17cPHE59:the CD2 atom in residue 17. Click here for more information.CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=the group of atoms that you are calculating the Gyration Tensor for@CG-59,the CG atom in residue 59. Click here for more information.@CD1-59,the CD1 atom in residue 59. Click here for more information.@CE1-59,the CE1 atom in residue 59. Click here for more information.@CZ-59,the CZ atom in residue 59. Click here for more information.@CE2-59,the CE2 atom in residue 59. Click here for more information.@CD2-59cPHE108:the CD2 atom in residue 59. Click here for more information.CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=the group of atoms that you are calculating the Gyration Tensor for@CG-108,the CG atom in residue 108. Click here for more information.@CD1-108,the CD1 atom in residue 108. Click here for more information.@CE1-108,the CE1 atom in residue 108. Click here for more information.@CZ-108,the CZ atom in residue 108. Click here for more information.@CE2-108,the CE2 atom in residue 108. Click here for more information.@CD2-108cPHE150:the CD2 atom in residue 108. Click here for more information.CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=the group of atoms that you are calculating the Gyration Tensor for@CG-150,the CG atom in residue 150. Click here for more information.@CD1-150,the CD1 atom in residue 150. Click here for more information.@CE1-150,the CE1 atom in residue 150. Click here for more information.@CZ-150,the CZ atom in residue 150. Click here for more information.@CE2-150,the CE2 atom in residue 150. Click here for more information.@CD2-150the CD2 atom in residue 150. Click here for more information.
cA4:CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=the group of atoms that you are calculating the Gyration Tensor for@N1-235,the N1 atom in residue 235. Click here for more information.@C2-235,the C2 atom in residue 235. Click here for more information.@N3-235,the N3 atom in residue 235. Click here for more information.@C4-235,the C4 atom in residue 235. Click here for more information.@C5-235,the C5 atom in residue 235. Click here for more information.@C6-235,the C6 atom in residue 235. Click here for more information.@N7-235,the N7 atom in residue 235. Click here for more information.@C8-235,the C8 atom in residue 235. Click here for more information.@N9-235cG5:the N9 atom in residue 235. Click here for more information.CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=the group of atoms that you are calculating the Gyration Tensor for@N1-236,the N1 atom in residue 236. Click here for more information.@C2-236,the C2 atom in residue 236. Click here for more information.@N3-236,the N3 atom in residue 236. Click here for more information.@C4-236,the C4 atom in residue 236. Click here for more information.@C5-236,the C5 atom in residue 236. Click here for more information.@C6-236,the C6 atom in residue 236. Click here for more information.@N7-236,the N7 atom in residue 236. Click here for more information.@C8-236,the C8 atom in residue 236. Click here for more information.@N9-236cA9:the N9 atom in residue 236. Click here for more information.CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=the group of atoms that you are calculating the Gyration Tensor for@N1-240,the N1 atom in residue 240. Click here for more information.@C2-240,the C2 atom in residue 240. Click here for more information.@N3-240,the N3 atom in residue 240. Click here for more information.@C4-240,the C4 atom in residue 240. Click here for more information.@C5-240,the C5 atom in residue 240. Click here for more information.@C6-240,the C6 atom in residue 240. Click here for more information.@N7-240,the N7 atom in residue 240. Click here for more information.@C8-240,the C8 atom in residue 240. Click here for more information.@N9-240cG10:the N9 atom in residue 240. Click here for more information.CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=the group of atoms that you are calculating the Gyration Tensor for@N1-241,the N1 atom in residue 241. Click here for more information.@C2-241,the C2 atom in residue 241. Click here for more information.@N3-241,the N3 atom in residue 241. Click here for more information.@C4-241,the C4 atom in residue 241. Click here for more information.@C5-241,the C5 atom in residue 241. Click here for more information.@C6-241,the C6 atom in residue 241. Click here for more information.@N7-241,the N7 atom in residue 241. Click here for more information.@C8-241,the C8 atom in residue 241. Click here for more information.@N9-241the N9 atom in residue 241. Click here for more information.
ring1:DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=cPHE17,cA4 The DISTANCE action with label ring1 calculates a scalar quantityring2:the pair of atom that we are calculating the distance betweenDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=cPHE59,cG5 The DISTANCE action with label ring2 calculates a scalar quantityring3:the pair of atom that we are calculating the distance betweenDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=cPHE108,cA9 The DISTANCE action with label ring3 calculates a scalar quantityring4:the pair of atom that we are calculating the distance betweenDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=cPHE150,cG10the pair of atom that we are calculating the distance between
The DISTANCE action with label ring4 calculates a scalar quantityUPPER_WALLSDefines a wall for the value of one or more collective variables, More detailsARG=ring1,ring2,ring3,ring4the arguments on which the bias is actingAT=0.35,0.35,0.35,0.35the positions of the wallKAPPA=1000.0,1000.0,1000.0,1000.0the force constant for the wallLABEL=uwall_ringa label for the action so that its output can be referenced in the input to other actions
#### RESTR ON SALT BRIDGES #### sb1:DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=the pair of atom that we are calculating the distance between@CZ-75,the CZ atom in residue 75. Click here for more information.@CG-155The DISTANCE action with label sb1 calculates a scalar quantitysb2:the CG atom in residue 155. Click here for more information.DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=the pair of atom that we are calculating the distance between@CZ-88,the CZ atom in residue 88. Click here for more information.@CG-157the CG atom in residue 157. Click here for more information.
The DISTANCE action with label sb2 calculates a scalar quantityUPPER_WALLSDefines a wall for the value of one or more collective variables, More detailsARG=sb1,sb2the arguments on which the bias is actingAT=0.4,0.4the positions of the wallKAPPA=1000.0,1000.0the force constant for the wallLABEL=uwall_sba label for the action so that its output can be referenced in the input to other actions
#### RESTR ON SS #### a1:RMSDCalculate the RMSD with respect to a reference structure. More detailsREFERENCE=alpha1.pdba file in pdb format containing the reference structure and the atoms involved in the CVTYPE=OPTIMAL a2:the manner in which RMSD alignment is performedRMSDCalculate the RMSD with respect to a reference structure. More detailsREFERENCE=alpha2.pdba file in pdb format containing the reference structure and the atoms involved in the CVTYPE=OPTIMAL a3:the manner in which RMSD alignment is performedRMSDCalculate the RMSD with respect to a reference structure. More detailsREFERENCE=alpha3.pdba file in pdb format containing the reference structure and the atoms involved in the CVTYPE=OPTIMAL a4:the manner in which RMSD alignment is performedRMSDCalculate the RMSD with respect to a reference structure. More detailsREFERENCE=alpha4.pdba file in pdb format containing the reference structure and the atoms involved in the CVTYPE=OPTIMAL a5:the manner in which RMSD alignment is performedRMSDCalculate the RMSD with respect to a reference structure. More detailsREFERENCE=alpha5.pdba file in pdb format containing the reference structure and the atoms involved in the CVTYPE=OPTIMAL a6:the manner in which RMSD alignment is performedRMSDCalculate the RMSD with respect to a reference structure. More detailsREFERENCE=alpha6.pdba file in pdb format containing the reference structure and the atoms involved in the CVTYPE=OPTIMAL a7:the manner in which RMSD alignment is performedRMSDCalculate the RMSD with respect to a reference structure. More detailsREFERENCE=alpha7.pdba file in pdb format containing the reference structure and the atoms involved in the CVTYPE=OPTIMAL a8:the manner in which RMSD alignment is performedRMSDCalculate the RMSD with respect to a reference structure. More detailsREFERENCE=alpha8.pdba file in pdb format containing the reference structure and the atoms involved in the CVTYPE=OPTIMAL a9:the manner in which RMSD alignment is performedRMSDCalculate the RMSD with respect to a reference structure. More detailsREFERENCE=alpha9.pdba file in pdb format containing the reference structure and the atoms involved in the CVTYPE=OPTIMALthe manner in which RMSD alignment is performed
b1:RMSDCalculate the RMSD with respect to a reference structure. More detailsREFERENCE=beta1.pdba file in pdb format containing the reference structure and the atoms involved in the CVTYPE=OPTIMAL b2:the manner in which RMSD alignment is performedRMSDCalculate the RMSD with respect to a reference structure. More detailsREFERENCE=beta2.pdba file in pdb format containing the reference structure and the atoms involved in the CVTYPE=OPTIMAL b3:the manner in which RMSD alignment is performedRMSDCalculate the RMSD with respect to a reference structure. More detailsREFERENCE=beta3.pdba file in pdb format containing the reference structure and the atoms involved in the CVTYPE=OPTIMAL b4:the manner in which RMSD alignment is performedRMSDCalculate the RMSD with respect to a reference structure. More detailsREFERENCE=beta4.pdba file in pdb format containing the reference structure and the atoms involved in the CVTYPE=OPTIMALthe manner in which RMSD alignment is performedUPPER_WALLSDefines a wall for the value of one or more collective variables, More detailsARG=a1,a2,a3,a4,a5,a6,a7,a8,a9,b1,b2,b3,b4the arguments on which the bias is actingAT=0,0,0,0,0,0,0,0,0,0,0,0,0the positions of the wallKAPPA=10000.0,10000.0,10000.0,10000.0,10000.0,10000.0,10000.0,10000.0,10000.0,10000.0,10000.0,10000.0,10000.0the force constant for the wallLABEL=uwall_ssa label for the action so that its output can be referenced in the input to other actionsPrint quantities to a file. More detailsSTRIDE=1000the frequency with which the quantities of interest should be outputARG=ring1,ring2,ring3,ring4,sb1,sb2the input for this action is the scalar output from one or more other actionsFILE=DISTANCESthe name of the file on which to output these quantitiesPrint quantities to a file. More detailsSTRIDE=1000the frequency with which the quantities of interest should be outputARG=a1,a2,a3,a4,a5,a6,a7,a8,a9,b1,b2,b3,b4the input for this action is the scalar output from one or more other actionsFILE=RMSDSSthe name of the file on which to output these quantitiesPrint quantities to a file. More detailsSTRIDE=1000the frequency with which the quantities of interest should be outputARG=uwall_ring.bias,uwall_sb.bias,uwall_ss.biasthe input for this action is the scalar output from one or more other actionsFILE=RESTRAINTS # --- End of included input ---the name of the file on which to output these quantities
### METAINFERENCEINCLUDEIncludes an external input file, similar to #include in C preprocessor. More details. Show included fileFILE=plumed-saxsCG.dat # The command: # INCLUDE FILE=plumed-saxsCG.dat # ensures PLUMED loads the contents of the file called plumed-saxsCG.dat # The contents of this file are shown below (click the red comment to hide them).file to be includedSAXS...Calculates SAXS intensity. More detailsLABEL=saxsdataa label for the action so that its output can be referenced in the input to other actionsATOMS=martiniThe atoms to be included in the calculation, eMARTINICalculate SAXS for a Martini modelNOPBCIgnore the periodic boundary conditions when calculating distancesQVALUE1=0.03Selected scattering lengths in inverse angstroms are given as QVALUE1, QVALUE2,QVALUE2=0.04Selected scattering lengths in inverse angstroms are given as QVALUE1, QVALUE2,QVALUE3=0.05Selected scattering lengths in inverse angstroms are given as QVALUE1, QVALUE2,QVALUE4=0.06Selected scattering lengths in inverse angstroms are given as QVALUE1, QVALUE2,QVALUE5=0.07Selected scattering lengths in inverse angstroms are given as QVALUE1, QVALUE2,QVALUE6=0.08Selected scattering lengths in inverse angstroms are given as QVALUE1, QVALUE2,QVALUE7=0.09Selected scattering lengths in inverse angstroms are given as QVALUE1, QVALUE2,QVALUE8=0.1Selected scattering lengths in inverse angstroms are given as QVALUE1, QVALUE2,QVALUE9=0.11Selected scattering lengths in inverse angstroms are given as QVALUE1, QVALUE2,QVALUE10=0.12Selected scattering lengths in inverse angstroms are given as QVALUE1, QVALUE2,QVALUE11=0.13Selected scattering lengths in inverse angstroms are given as QVALUE1, QVALUE2,QVALUE12=0.14Selected scattering lengths in inverse angstroms are given as QVALUE1, QVALUE2,QVALUE13=0.15Selected scattering lengths in inverse angstroms are given as QVALUE1, QVALUE2,QVALUE14=0.16Selected scattering lengths in inverse angstroms are given as QVALUE1, QVALUE2,QVALUE15=0.17Selected scattering lengths in inverse angstroms are given as QVALUE1, QVALUE2,QVALUE16=0.18Selected scattering lengths in inverse angstroms are given as QVALUE1, QVALUE2,QVALUE17=0.19Selected scattering lengths in inverse angstroms are given as QVALUE1, QVALUE2,QVALUE18=0.2Selected scattering lengths in inverse angstroms are given as QVALUE1, QVALUE2,QVALUE19=0.21Selected scattering lengths in inverse angstroms are given as QVALUE1, QVALUE2,QVALUE20=0.22Selected scattering lengths in inverse angstroms are given as QVALUE1, QVALUE2,QVALUE21=0.23Selected scattering lengths in inverse angstroms are given as QVALUE1, QVALUE2,QVALUE22=0.24Selected scattering lengths in inverse angstroms are given as QVALUE1, QVALUE2,QVALUE23=0.25Selected scattering lengths in inverse angstroms are given as QVALUE1, QVALUE2,QVALUE24=0.26Selected scattering lengths in inverse angstroms are given as QVALUE1, QVALUE2,QVALUE25=0.27Selected scattering lengths in inverse angstroms are given as QVALUE1, QVALUE2,QVALUE26=0.28Selected scattering lengths in inverse angstroms are given as QVALUE1, QVALUE2,QVALUE27=0.29Selected scattering lengths in inverse angstroms are given as QVALUE1, QVALUE2,QVALUE28=0.3Selected scattering lengths in inverse angstroms are given as QVALUE1, QVALUE2,QVALUE29=0.31Selected scattering lengths in inverse angstroms are given as QVALUE1, QVALUE2,QVALUE30=0.32Selected scattering lengths in inverse angstroms are given as QVALUE1, QVALUE2,QVALUE31=0.33Selected scattering lengths in inverse angstroms are given as QVALUE1, QVALUE2,QVALUE32=0.34Selected scattering lengths in inverse angstroms are given as QVALUE1, QVALUE2,QVALUE33=0.35Selected scattering lengths in inverse angstroms are given as QVALUE1, QVALUE2,QVALUE34=0.36Selected scattering lengths in inverse angstroms are given as QVALUE1, QVALUE2,QVALUE35=0.37Selected scattering lengths in inverse angstroms are given as QVALUE1, QVALUE2,QVALUE36=0.38Selected scattering lengths in inverse angstroms are given as QVALUE1, QVALUE2,QVALUE37=0.39Selected scattering lengths in inverse angstroms are given as QVALUE1, QVALUE2,QVALUE38=0.4Selected scattering lengths in inverse angstroms are given as QVALUE1, QVALUE2,QVALUE39=0.41Selected scattering lengths in inverse angstroms are given as QVALUE1, QVALUE2,QVALUE40=0.42Selected scattering lengths in inverse angstroms are given as QVALUE1, QVALUE2,QVALUE41=0.43Selected scattering lengths in inverse angstroms are given as QVALUE1, QVALUE2,QVALUE42=0.44Selected scattering lengths in inverse angstroms are given as QVALUE1, QVALUE2,QVALUE43=0.45Selected scattering lengths in inverse angstroms are given as QVALUE1, QVALUE2,EXPINT1=17.141532319665245Add an experimental value for each q valueEXPINT2=15.174604568043684Add an experimental value for each q valueEXPINT3=12.923925577394117Add an experimental value for each q valueEXPINT4=10.616701344592386Add an experimental value for each q valueEXPINT5=8.436571368044396Add an experimental value for each q valueEXPINT6=6.50773453866687Add an experimental value for each q valueEXPINT7=4.895235935968452Add an experimental value for each q valueEXPINT8=3.614318196317843Add an experimental value for each q valueEXPINT9=2.6437527119742383Add an experimental value for each q valueEXPINT10=1.9397153452283589Add an experimental value for each q valueEXPINT11=1.4480862099547305Add an experimental value for each q valueEXPINT12=1.1140649125509048Add an experimental value for each q valueEXPINT13=0.8887359472219541Add an experimental value for each q valueEXPINT14=0.7327301387426515Add an experimental value for each q valueEXPINT15=0.6174444367897345Add an experimental value for each q valueEXPINT16=0.5244411361856471Add an experimental value for each q valueEXPINT17=0.4436846766496052Add an experimental value for each q valueEXPINT18=0.371223354703121Add an experimental value for each q valueEXPINT19=0.3068153256017546Add an experimental value for each q valueEXPINT20=0.25186018808234745Add an experimental value for each q valueEXPINT21=0.20785188624882353Add an experimental value for each q valueEXPINT22=0.1754335386334374Add an experimental value for each q valueEXPINT23=0.15402306562674925Add an experimental value for each q valueEXPINT24=0.1418981389421034Add an experimental value for each q valueEXPINT25=0.13658330283508824Add an experimental value for each q valueEXPINT26=0.13537012659208814Add an experimental value for each q valueEXPINT27=0.1358183235572108Add an experimental value for each q valueEXPINT28=0.13612451636844103Add an experimental value for each q valueEXPINT29=0.13529655149832287Add an experimental value for each q valueEXPINT30=0.13312510239482656Add an experimental value for each q valueEXPINT31=0.12999136191096383Add an experimental value for each q valueEXPINT32=0.12658216130127187Add an experimental value for each q valueEXPINT33=0.12359678501507432Add an experimental value for each q valueEXPINT34=0.12152152571381691Add an experimental value for each q valueEXPINT35=0.12052112610305699Add an experimental value for each q valueEXPINT36=0.12045725557882747Add an experimental value for each q valueEXPINT37=0.12100318714487912Add an experimental value for each q valueEXPINT38=0.12179314461263857Add an experimental value for each q valueEXPINT39=0.12253645852865702Add an experimental value for each q valueEXPINT40=0.12304901853553929Add an experimental value for each q valueEXPINT41=0.12320700595751077Add an experimental value for each q valueEXPINT42=0.1228944179320024Add an experimental value for each q valueEXPINT43=0.12205586088384734 # METAINFAdd an experimental value for each q valueDOSCOREactivate metainferenceNOENSEMBLEdon't perform any replica-averagingSIGMA_MEAN0=0starting value for the uncertainty in the mean estimateNOISETYPE=MGAUSSfunctional form of the noise (GAUSS,MGAUSS,OUTLIERS,MOUTLIERS,GENERIC)SCALEDATASet to TRUE if you want to sample a scaling factor common to all values and replicasSCALE_PRIOR=FLATeither FLAT or GAUSSIANSCALE0=1.00initial value of the scaling factorSCALE_MIN=0.9minimum value of the scaling factorSCALE_MAX=1.1maximum value of the scaling factorDSCALE=0.05maximum MC move of the scaling factorSIGMA0=0.2initial value of the uncertainty parameterSIGMA_MAX=0.2maximum value of the uncertainty parameterSIGMA_MIN=0.005minimum value of the uncertainty parameterDSIGMA=0.005maximum MC move of the uncertainty parameterWRITE_STRIDE=1000 ... SAXS # --- End of included input --- The SAXS action with label saxsdata calculates the following quantities:write the status to a file every N steps, this can be used for restart/continuationsaxsbias:
Quantity Description saxsdata.score the Metainference score saxsdata.sigma uncertainty parameter saxsdata.sigmaMean uncertainty in the mean estimate saxsdata.neff effective number of replicas saxsdata.acceptSigma MC acceptance for sigma values saxsdata.acceptScale MC acceptance for scale value saxsdata.scale scale parameter saxsdata.q The # SAXS of q BIASVALUETakes the value of one variable and use it as a bias More detailsARG=(saxsdata\.scorethe input for this action is the scalar output from one or more other actionsSTRIDE=10the frequency with which the forces due to the bias should be calculated
#STAT The BIASVALUE action with label saxsbias calculates the following quantities:statcg:
Quantity Description saxsbias.bias the instantaneous value of the bias potential saxsbias._bias one or multiple instances of this quantity can be referenced elsewhere in the input file STATSCalculates statistical properties of a set of collective variables with respect to a set of reference values. More detailsARG=(saxsdata\.qthe input for this action is the scalar output from one or more other actionsPARARG=(saxsdata\.expthe input for this action is the scalar output from one or more other actions without derivatives
## PRINT The STATS action with label statcg calculates the following quantities:
Quantity Description statcg.sqdevsum the sum of the squared deviations between arguments and parameters statcg.corr the correlation between arguments and parameters statcg.slope the slope of a linear fit between arguments and parameters statcg.intercept the intercept of a linear fit between arguments and parameters Print quantities to a file. More detailsARG=(saxsdata\.score),(saxsdata\.scale),(saxsdata\.acceptScale),(saxsdata\.acceptSigma),(saxsdata\.sigmathe input for this action is the scalar output from one or more other actionsSTRIDE=500the frequency with which the quantities of interest should be outputFILE=BAYES.SAXSthe name of the file on which to output these quantitiesPrint quantities to a file. More detailsARG=(saxsdata\.qthe input for this action is the scalar output from one or more other actionsSTRIDE=500the frequency with which the quantities of interest should be outputFILE=QVALCGthe name of the file on which to output these quantitiesPrint quantities to a file. More detailsARG=statcgthe input for this action is the scalar output from one or more other actionsSTRIDE=500the frequency with which the quantities of interest should be outputFILE=ST.SAXSCGthe name of the file on which to output these quantities