Project ID: plumID:23.034
Source: SS_model/plumed.dat
Originally used with PLUMED version: 2.7.2
Stable: zipped raw stdout - zipped raw stderr - stderr
Master: zipped raw stdout - zipped raw stderr - stderr
# Restart simulation. This command will append results of new simulations to the same output files, e.g. COLVAR. # RESTARTLOADLoads a library, possibly defining new actions. More detailsFILE=PairOrientationalEntropy.cpp The LOAD action with label calculates somethingfile to be loadedLOADLoads a library, possibly defining new actions. More detailsFILE=ManyAnglePlus.cppfile to be loaded
# Define groups for the CVINCLUDEIncludes an external input file, similar to #include in C preprocessor. More details. Show included fileFILE=centers.dat # The command: # INCLUDE FILE=centers.dat # ensures PLUMED loads the contents of the file called centers.dat # The contents of this file are shown below (click the red comment to hide them). The INCLUDE action with label centers.dat calculates somethingc1:file to be includedCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=3,6 The CENTER action with label c1 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc2:
Quantity Description c1.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=11,14 The CENTER action with label c2 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc3:
Quantity Description c2.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=19,22 The CENTER action with label c3 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc4:
Quantity Description c3.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=27,30 The CENTER action with label c4 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc5:
Quantity Description c4.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=35,38 The CENTER action with label c5 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc6:
Quantity Description c5.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=43,46 The CENTER action with label c6 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc7:
Quantity Description c6.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=51,54 The CENTER action with label c7 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc8:
Quantity Description c7.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=59,62 The CENTER action with label c8 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc9:
Quantity Description c8.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=67,70 The CENTER action with label c9 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc10:
Quantity Description c9.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=75,78 The CENTER action with label c10 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc11:
Quantity Description c10.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=83,86 The CENTER action with label c11 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc12:
Quantity Description c11.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=91,94 The CENTER action with label c12 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc13:
Quantity Description c12.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=99,102 The CENTER action with label c13 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc14:
Quantity Description c13.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=107,110 The CENTER action with label c14 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc15:
Quantity Description c14.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=115,118 The CENTER action with label c15 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc16:
Quantity Description c15.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=123,126 The CENTER action with label c16 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc17:
Quantity Description c16.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=131,134 The CENTER action with label c17 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc18:
Quantity Description c17.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=139,142 The CENTER action with label c18 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc19:
Quantity Description c18.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=147,150 The CENTER action with label c19 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc20:
Quantity Description c19.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=155,158 The CENTER action with label c20 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc21:
Quantity Description c20.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=163,166 The CENTER action with label c21 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc22:
Quantity Description c21.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=171,174 The CENTER action with label c22 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc23:
Quantity Description c22.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=179,182 The CENTER action with label c23 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc24:
Quantity Description c23.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=187,190 The CENTER action with label c24 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc25:
Quantity Description c24.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=195,198 The CENTER action with label c25 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc26:
Quantity Description c25.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=203,206 The CENTER action with label c26 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc27:
Quantity Description c26.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=211,214 The CENTER action with label c27 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc28:
Quantity Description c27.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=219,222 The CENTER action with label c28 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc29:
Quantity Description c28.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=227,230 The CENTER action with label c29 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc30:
Quantity Description c29.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=235,238 The CENTER action with label c30 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc31:
Quantity Description c30.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=243,246 The CENTER action with label c31 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc32:
Quantity Description c31.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=251,254 The CENTER action with label c32 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc33:
Quantity Description c32.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=259,262 The CENTER action with label c33 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc34:
Quantity Description c33.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=267,270 The CENTER action with label c34 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc35:
Quantity Description c34.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=275,278 The CENTER action with label c35 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc36:
Quantity Description c35.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=283,286 The CENTER action with label c36 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc37:
Quantity Description c36.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=291,294 The CENTER action with label c37 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc38:
Quantity Description c37.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=299,302 The CENTER action with label c38 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc39:
Quantity Description c38.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=307,310 The CENTER action with label c39 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc40:
Quantity Description c39.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=315,318 The CENTER action with label c40 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc41:
Quantity Description c40.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=323,326 The CENTER action with label c41 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc42:
Quantity Description c41.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=331,334 The CENTER action with label c42 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc43:
Quantity Description c42.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=339,342 The CENTER action with label c43 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc44:
Quantity Description c43.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=347,350 The CENTER action with label c44 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc45:
Quantity Description c44.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=355,358 The CENTER action with label c45 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc46:
Quantity Description c45.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=363,366 The CENTER action with label c46 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc47:
Quantity Description c46.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=371,374 The CENTER action with label c47 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc48:
Quantity Description c47.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=379,382 The CENTER action with label c48 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc49:
Quantity Description c48.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=387,390 The CENTER action with label c49 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc50:
Quantity Description c49.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=395,398 The CENTER action with label c50 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc51:
Quantity Description c50.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=403,406 The CENTER action with label c51 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc52:
Quantity Description c51.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=411,414 The CENTER action with label c52 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc53:
Quantity Description c52.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=419,422 The CENTER action with label c53 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc54:
Quantity Description c53.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=427,430 The CENTER action with label c54 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc55:
Quantity Description c54.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=435,438 The CENTER action with label c55 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc56:
Quantity Description c55.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=443,446 The CENTER action with label c56 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc57:
Quantity Description c56.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=451,454 The CENTER action with label c57 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc58:
Quantity Description c57.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=459,462 The CENTER action with label c58 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc59:
Quantity Description c58.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=467,470 The CENTER action with label c59 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc60:
Quantity Description c59.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=475,478 The CENTER action with label c60 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc61:
Quantity Description c60.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=483,486 The CENTER action with label c61 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc62:
Quantity Description c61.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=491,494 The CENTER action with label c62 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc63:
Quantity Description c62.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=499,502 The CENTER action with label c63 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc64:
Quantity Description c63.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=507,510 The CENTER action with label c64 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc65:
Quantity Description c64.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=515,518 The CENTER action with label c65 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc66:
Quantity Description c65.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=523,526 The CENTER action with label c66 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc67:
Quantity Description c66.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=531,534 The CENTER action with label c67 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc68:
Quantity Description c67.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=539,542 The CENTER action with label c68 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc69:
Quantity Description c68.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=547,550 The CENTER action with label c69 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc70:
Quantity Description c69.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=555,558 The CENTER action with label c70 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc71:
Quantity Description c70.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=563,566 The CENTER action with label c71 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc72:
Quantity Description c71.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=571,574 The CENTER action with label c72 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc73:
Quantity Description c72.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=579,582 The CENTER action with label c73 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc74:
Quantity Description c73.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=587,590 The CENTER action with label c74 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc75:
Quantity Description c74.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=595,598 The CENTER action with label c75 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc76:
Quantity Description c75.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=603,606 The CENTER action with label c76 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc77:
Quantity Description c76.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=611,614 The CENTER action with label c77 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc78:
Quantity Description c77.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=619,622 The CENTER action with label c78 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc79:
Quantity Description c78.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=627,630 The CENTER action with label c79 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc80:
Quantity Description c79.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=635,638 The CENTER action with label c80 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc81:
Quantity Description c80.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=643,646 The CENTER action with label c81 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc82:
Quantity Description c81.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=651,654 The CENTER action with label c82 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc83:
Quantity Description c82.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=659,662 The CENTER action with label c83 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc84:
Quantity Description c83.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=667,670 The CENTER action with label c84 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc85:
Quantity Description c84.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=675,678 The CENTER action with label c85 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc86:
Quantity Description c85.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=683,686 The CENTER action with label c86 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc87:
Quantity Description c86.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=691,694 The CENTER action with label c87 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc88:
Quantity Description c87.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=699,702 The CENTER action with label c88 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc89:
Quantity Description c88.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=707,710 The CENTER action with label c89 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc90:
Quantity Description c89.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=715,718 The CENTER action with label c90 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc91:
Quantity Description c90.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=723,726 The CENTER action with label c91 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc92:
Quantity Description c91.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=731,734 The CENTER action with label c92 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc93:
Quantity Description c92.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=739,742 The CENTER action with label c93 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc94:
Quantity Description c93.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=747,750 The CENTER action with label c94 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc95:
Quantity Description c94.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=755,758 The CENTER action with label c95 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc96:
Quantity Description c95.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=763,766 The CENTER action with label c96 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc97:
Quantity Description c96.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=771,774 The CENTER action with label c97 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc98:
Quantity Description c97.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=779,782 The CENTER action with label c98 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc99:
Quantity Description c98.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=787,790 The CENTER action with label c99 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc100:
Quantity Description c99.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=795,798 The CENTER action with label c100 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc101:
Quantity Description c100.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=803,806 The CENTER action with label c101 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc102:
Quantity Description c101.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=811,814 The CENTER action with label c102 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc103:
Quantity Description c102.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=819,822 The CENTER action with label c103 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc104:
Quantity Description c103.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=827,830 The CENTER action with label c104 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc105:
Quantity Description c104.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=835,838 The CENTER action with label c105 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc106:
Quantity Description c105.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=843,846 The CENTER action with label c106 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc107:
Quantity Description c106.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=851,854 The CENTER action with label c107 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc108:
Quantity Description c107.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=859,862 The CENTER action with label c108 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc109:
Quantity Description c108.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=867,870 The CENTER action with label c109 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc110:
Quantity Description c109.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=875,878 The CENTER action with label c110 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc111:
Quantity Description c110.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=883,886 The CENTER action with label c111 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc112:
Quantity Description c111.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=891,894 The CENTER action with label c112 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc113:
Quantity Description c112.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=899,902 The CENTER action with label c113 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc114:
Quantity Description c113.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=907,910 The CENTER action with label c114 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc115:
Quantity Description c114.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=915,918 The CENTER action with label c115 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc116:
Quantity Description c115.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=923,926 The CENTER action with label c116 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc117:
Quantity Description c116.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=931,934 The CENTER action with label c117 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc118:
Quantity Description c117.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=939,942 The CENTER action with label c118 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc119:
Quantity Description c118.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=947,950 The CENTER action with label c119 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc120:
Quantity Description c119.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=955,958 The CENTER action with label c120 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc121:
Quantity Description c120.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=963,966 The CENTER action with label c121 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc122:
Quantity Description c121.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=971,974 The CENTER action with label c122 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc123:
Quantity Description c122.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=979,982 The CENTER action with label c123 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc124:
Quantity Description c123.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=987,990 The CENTER action with label c124 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc125:
Quantity Description c124.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=995,998 The CENTER action with label c125 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc126:
Quantity Description c125.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1003,1006 The CENTER action with label c126 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc127:
Quantity Description c126.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1011,1014 The CENTER action with label c127 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc128:
Quantity Description c127.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1019,1022 The CENTER action with label c128 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc129:
Quantity Description c128.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1027,1030 The CENTER action with label c129 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc130:
Quantity Description c129.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1035,1038 The CENTER action with label c130 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc131:
Quantity Description c130.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1043,1046 The CENTER action with label c131 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc132:
Quantity Description c131.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1051,1054 The CENTER action with label c132 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc133:
Quantity Description c132.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1059,1062 The CENTER action with label c133 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc134:
Quantity Description c133.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1067,1070 The CENTER action with label c134 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc135:
Quantity Description c134.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1075,1078 The CENTER action with label c135 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc136:
Quantity Description c135.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1083,1086 The CENTER action with label c136 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc137:
Quantity Description c136.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1091,1094 The CENTER action with label c137 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc138:
Quantity Description c137.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1099,1102 The CENTER action with label c138 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc139:
Quantity Description c138.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1107,1110 The CENTER action with label c139 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc140:
Quantity Description c139.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1115,1118 The CENTER action with label c140 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc141:
Quantity Description c140.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1123,1126 The CENTER action with label c141 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc142:
Quantity Description c141.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1131,1134 The CENTER action with label c142 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc143:
Quantity Description c142.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1139,1142 The CENTER action with label c143 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc144:
Quantity Description c143.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1147,1150 The CENTER action with label c144 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc145:
Quantity Description c144.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1155,1158 The CENTER action with label c145 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc146:
Quantity Description c145.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1163,1166 The CENTER action with label c146 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc147:
Quantity Description c146.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1171,1174 The CENTER action with label c147 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc148:
Quantity Description c147.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1179,1182 The CENTER action with label c148 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc149:
Quantity Description c148.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1187,1190 The CENTER action with label c149 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc150:
Quantity Description c149.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1195,1198 The CENTER action with label c150 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc151:
Quantity Description c150.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1203,1206 The CENTER action with label c151 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc152:
Quantity Description c151.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1211,1214 The CENTER action with label c152 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc153:
Quantity Description c152.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1219,1222 The CENTER action with label c153 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc154:
Quantity Description c153.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1227,1230 The CENTER action with label c154 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc155:
Quantity Description c154.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1235,1238 The CENTER action with label c155 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc156:
Quantity Description c155.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1243,1246 The CENTER action with label c156 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc157:
Quantity Description c156.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1251,1254 The CENTER action with label c157 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc158:
Quantity Description c157.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1259,1262 The CENTER action with label c158 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc159:
Quantity Description c158.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1267,1270 The CENTER action with label c159 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc160:
Quantity Description c159.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1275,1278 The CENTER action with label c160 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc161:
Quantity Description c160.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1283,1286 The CENTER action with label c161 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc162:
Quantity Description c161.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1291,1294 The CENTER action with label c162 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc163:
Quantity Description c162.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1299,1302 The CENTER action with label c163 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc164:
Quantity Description c163.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1307,1310 The CENTER action with label c164 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc165:
Quantity Description c164.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1315,1318 The CENTER action with label c165 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc166:
Quantity Description c165.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1323,1326 The CENTER action with label c166 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc167:
Quantity Description c166.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1331,1334 The CENTER action with label c167 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc168:
Quantity Description c167.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1339,1342 The CENTER action with label c168 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc169:
Quantity Description c168.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1347,1350 The CENTER action with label c169 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc170:
Quantity Description c169.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1355,1358 The CENTER action with label c170 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc171:
Quantity Description c170.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1363,1366 The CENTER action with label c171 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc172:
Quantity Description c171.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1371,1374 The CENTER action with label c172 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc173:
Quantity Description c172.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1379,1382 The CENTER action with label c173 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc174:
Quantity Description c173.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1387,1390 The CENTER action with label c174 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc175:
Quantity Description c174.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1395,1398 The CENTER action with label c175 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc176:
Quantity Description c175.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1403,1406 The CENTER action with label c176 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc177:
Quantity Description c176.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1411,1414 The CENTER action with label c177 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc178:
Quantity Description c177.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1419,1422 The CENTER action with label c178 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc179:
Quantity Description c178.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1427,1430 The CENTER action with label c179 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc180:
Quantity Description c179.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1435,1438 The CENTER action with label c180 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc181:
Quantity Description c180.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1443,1446 The CENTER action with label c181 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc182:
Quantity Description c181.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1451,1454 The CENTER action with label c182 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc183:
Quantity Description c182.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1459,1462 The CENTER action with label c183 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc184:
Quantity Description c183.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1467,1470 The CENTER action with label c184 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc185:
Quantity Description c184.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1475,1478 The CENTER action with label c185 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc186:
Quantity Description c185.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1483,1486 The CENTER action with label c186 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc187:
Quantity Description c186.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1491,1494 The CENTER action with label c187 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc188:
Quantity Description c187.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1499,1502 The CENTER action with label c188 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc189:
Quantity Description c188.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1507,1510 The CENTER action with label c189 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc190:
Quantity Description c189.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1515,1518 The CENTER action with label c190 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc191:
Quantity Description c190.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1523,1526 The CENTER action with label c191 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc192:
Quantity Description c191.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1531,1534 The CENTER action with label c192 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc193:
Quantity Description c192.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1539,1542 The CENTER action with label c193 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc194:
Quantity Description c193.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1547,1550 The CENTER action with label c194 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc195:
Quantity Description c194.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1555,1558 The CENTER action with label c195 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc196:
Quantity Description c195.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1563,1566 The CENTER action with label c196 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc197:
Quantity Description c196.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1571,1574 The CENTER action with label c197 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc198:
Quantity Description c197.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1579,1582 The CENTER action with label c198 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc199:
Quantity Description c198.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1587,1590 The CENTER action with label c199 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc200:
Quantity Description c199.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1595,1598 The CENTER action with label c200 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc201:
Quantity Description c200.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1603,1606 The CENTER action with label c201 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc202:
Quantity Description c201.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1611,1614 The CENTER action with label c202 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc203:
Quantity Description c202.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1619,1622 The CENTER action with label c203 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc204:
Quantity Description c203.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1627,1630 The CENTER action with label c204 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc205:
Quantity Description c204.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1635,1638 The CENTER action with label c205 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc206:
Quantity Description c205.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1643,1646 The CENTER action with label c206 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc207:
Quantity Description c206.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1651,1654 The CENTER action with label c207 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc208:
Quantity Description c207.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1659,1662 The CENTER action with label c208 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc209:
Quantity Description c208.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1667,1670 The CENTER action with label c209 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc210:
Quantity Description c209.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1675,1678 The CENTER action with label c210 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc211:
Quantity Description c210.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1683,1686 The CENTER action with label c211 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc212:
Quantity Description c211.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1691,1694 The CENTER action with label c212 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc213:
Quantity Description c212.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1699,1702 The CENTER action with label c213 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc214:
Quantity Description c213.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1707,1710 The CENTER action with label c214 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc215:
Quantity Description c214.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1715,1718 The CENTER action with label c215 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc216:
Quantity Description c215.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1723,1726 The CENTER action with label c216 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc217:
Quantity Description c216.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1731,1734 The CENTER action with label c217 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc218:
Quantity Description c217.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1739,1742 The CENTER action with label c218 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc219:
Quantity Description c218.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1747,1750 The CENTER action with label c219 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc220:
Quantity Description c219.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1755,1758 The CENTER action with label c220 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc221:
Quantity Description c220.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1763,1766 The CENTER action with label c221 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc222:
Quantity Description c221.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1771,1774 The CENTER action with label c222 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc223:
Quantity Description c222.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1779,1782 The CENTER action with label c223 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc224:
Quantity Description c223.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1787,1790 The CENTER action with label c224 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc225:
Quantity Description c224.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1795,1798 The CENTER action with label c225 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc226:
Quantity Description c225.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1803,1806 The CENTER action with label c226 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc227:
Quantity Description c226.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1811,1814 The CENTER action with label c227 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc228:
Quantity Description c227.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1819,1822 The CENTER action with label c228 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc229:
Quantity Description c228.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1827,1830 The CENTER action with label c229 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc230:
Quantity Description c229.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1835,1838 The CENTER action with label c230 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc231:
Quantity Description c230.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1843,1846 The CENTER action with label c231 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc232:
Quantity Description c231.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1851,1854 The CENTER action with label c232 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc233:
Quantity Description c232.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1859,1862 The CENTER action with label c233 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc234:
Quantity Description c233.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1867,1870 The CENTER action with label c234 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc235:
Quantity Description c234.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1875,1878 The CENTER action with label c235 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc236:
Quantity Description c235.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1883,1886 The CENTER action with label c236 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc237:
Quantity Description c236.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1891,1894 The CENTER action with label c237 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc238:
Quantity Description c237.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1899,1902 The CENTER action with label c238 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc239:
Quantity Description c238.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1907,1910 The CENTER action with label c239 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc240:
Quantity Description c239.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1915,1918 The CENTER action with label c240 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc241:
Quantity Description c240.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1923,1926 The CENTER action with label c241 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc242:
Quantity Description c241.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1931,1934 The CENTER action with label c242 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc243:
Quantity Description c242.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1939,1942 The CENTER action with label c243 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc244:
Quantity Description c243.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1947,1950 The CENTER action with label c244 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc245:
Quantity Description c244.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1955,1958 The CENTER action with label c245 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc246:
Quantity Description c245.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1963,1966 The CENTER action with label c246 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc247:
Quantity Description c246.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1971,1974 The CENTER action with label c247 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc248:
Quantity Description c247.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1979,1982 The CENTER action with label c248 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc249:
Quantity Description c248.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1987,1990 The CENTER action with label c249 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc250:
Quantity Description c249.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1995,1998 The CENTER action with label c250 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc251:
Quantity Description c250.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=2003,2006 The CENTER action with label c251 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc252:
Quantity Description c251.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=2011,2014 The CENTER action with label c252 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc253:
Quantity Description c252.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=2019,2022 The CENTER action with label c253 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc254:
Quantity Description c253.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=2027,2030 The CENTER action with label c254 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc255:
Quantity Description c254.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=2035,2038 The CENTER action with label c255 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc256:
Quantity Description c255.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=2043,2046 The CENTER action with label c256 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc257:
Quantity Description c256.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=2051,2054 The CENTER action with label c257 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc258:
Quantity Description c257.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=2059,2062 The CENTER action with label c258 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc259:
Quantity Description c258.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=2067,2070 The CENTER action with label c259 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc260:
Quantity Description c259.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=2075,2078 The CENTER action with label c260 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc261:
Quantity Description c260.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=2083,2086 The CENTER action with label c261 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc262:
Quantity Description c261.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=2091,2094 The CENTER action with label c262 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc263:
Quantity Description c262.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=2099,2102 The CENTER action with label c263 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc264:
Quantity Description c263.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=2107,2110 The CENTER action with label c264 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc265:
Quantity Description c264.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=2115,2118 The CENTER action with label c265 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc266:
Quantity Description c265.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=2123,2126 The CENTER action with label c266 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc267:
Quantity Description c266.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=2131,2134 The CENTER action with label c267 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc268:
Quantity Description c267.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=2139,2142 The CENTER action with label c268 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc269:
Quantity Description c268.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=2147,2150 The CENTER action with label c269 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc270:
Quantity Description c269.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=2155,2158 The CENTER action with label c270 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc271:
Quantity Description c270.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=2163,2166 The CENTER action with label c271 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc272:
Quantity Description c271.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=2171,2174 The CENTER action with label c272 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc273:
Quantity Description c272.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=2179,2182 The CENTER action with label c273 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc274:
Quantity Description c273.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=2187,2190 The CENTER action with label c274 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc275:
Quantity Description c274.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=2195,2198 The CENTER action with label c275 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc276:
Quantity Description c275.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=2203,2206 The CENTER action with label c276 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc277:
Quantity Description c276.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=2211,2214 The CENTER action with label c277 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc278:
Quantity Description c277.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=2219,2222 The CENTER action with label c278 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc279:
Quantity Description c278.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=2227,2230 The CENTER action with label c279 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc280:
Quantity Description c279.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=2235,2238 The CENTER action with label c280 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc281:
Quantity Description c280.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=2243,2246 The CENTER action with label c281 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc282:
Quantity Description c281.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=2251,2254 The CENTER action with label c282 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc283:
Quantity Description c282.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=2259,2262 The CENTER action with label c283 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc284:
Quantity Description c283.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=2267,2270 The CENTER action with label c284 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc285:
Quantity Description c284.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=2275,2278 The CENTER action with label c285 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc286:
Quantity Description c285.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=2283,2286 The CENTER action with label c286 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc287:
Quantity Description c286.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=2291,2294 The CENTER action with label c287 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc288:
Quantity Description c287.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=2299,2302 The CENTER action with label c288 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc289:
Quantity Description c288.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=2307,2310 The CENTER action with label c289 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc290:
Quantity Description c289.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=2315,2318 The CENTER action with label c290 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc291:
Quantity Description c290.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=2323,2326 The CENTER action with label c291 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc292:
Quantity Description c291.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=2331,2334 The CENTER action with label c292 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc293:
Quantity Description c292.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=2339,2342 The CENTER action with label c293 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc294:
Quantity Description c293.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=2347,2350 The CENTER action with label c294 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc295:
Quantity Description c294.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=2355,2358 The CENTER action with label c295 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc296:
Quantity Description c295.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=2363,2366 The CENTER action with label c296 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc297:
Quantity Description c296.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=2371,2374 The CENTER action with label c297 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc298:
Quantity Description c297.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=2379,2382 The CENTER action with label c298 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc299:
Quantity Description c298.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=2387,2390 The CENTER action with label c299 calculates the following quantities:the group of atoms that you are calculating the Gyration Tensor forc300:
Quantity Description c299.value the position of the center of mass CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=2395,2398the group of atoms that you are calculating the Gyration Tensor for
The CENTER action with label c300 calculates the following quantities:Ncenter:
Quantity Description c300.value the position of the center of mass 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=c1,c2,c3,c4,c5,c6,c7,c8,c9,c10,c11,c12,c13,c14,c15,c16,c17,c18,c19,c20,c21,c22,c23,c24,c25,c26,c27,c28,c29,c30,c31,c32,c33,c34,c35,c36,c37,c38,c39,c40,c41,c42,c43,c44,c45,c46,c47,c48,c49,c50,c51,c52,c53,c54,c55,c56,c57,c58,c59,c60,c61,c62,c63,c64,c65,c66,c67,c68,c69,c70,c71,c72,c73,c74,c75,c76,c77,c78,c79,c80,c81,c82,c83,c84,c85,c86,c87,c88,c89,c90,c91,c92,c93,c94,c95,c96,c97,c98,c99,c100,c101,c102,c103,c104,c105,c106,c107,c108,c109,c110,c111,c112,c113,c114,c115,c116,c117,c118,c119,c120,c121,c122,c123,c124,c125,c126,c127,c128,c129,c130,c131,c132,c133,c134,c135,c136,c137,c138,c139,c140,c141,c142,c143,c144,c145,c146,c147,c148,c149,c150,c151,c152,c153,c154,c155,c156,c157,c158,c159,c160,c161,c162,c163,c164,c165,c166,c167,c168,c169,c170,c171,c172,c173,c174,c175,c176,c177,c178,c179,c180,c181,c182,c183,c184,c185,c186,c187,c188,c189,c190,c191,c192,c193,c194,c195,c196,c197,c198,c199,c200,c201,c202,c203,c204,c205,c206,c207,c208,c209,c210,c211,c212,c213,c214,c215,c216,c217,c218,c219,c220,c221,c222,c223,c224,c225,c226,c227,c228,c229,c230,c231,c232,c233,c234,c235,c236,c237,c238,c239,c240,c241,c242,c243,c244,c245,c246,c247,c248,c249,c250,c251,c252,c253,c254,c255,c256,c257,c258,c259,c260,c261,c262,c263,c264,c265,c266,c267,c268,c269,c270,c271,c272,c273,c274,c275,c276,c277,c278,c279,c280,c281,c282,c283,c284,c285,c286,c287,c288,c289,c290,c291,c292,c293,c294,c295,c296,c297,c298,c299,c300the numerical indexes for the set of atoms in the group
# --- End of included input --- The GROUP action with label Ncenter calculates somethingC: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=1-2400:8 The GROUP action with label C calculates somethingO:the numerical indexes for the set of atoms in the groupGROUPDefine 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=2-2400:8 The GROUP action with label O calculates somethingN1:the numerical indexes for the set of atoms in the groupGROUPDefine 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=3-2400:8 The GROUP action with label N1 calculates somethingN2:the numerical indexes for the set of atoms in the groupGROUPDefine 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=6-2400:8 # Define the CVthe numerical indexes for the set of atoms in the group
The GROUP action with label N2 calculates somethingPAIR_ORIENTATIONAL_ENTROPY... LABEL=s1 CENTER=C START=Ncenter END=O MAXR=0.6 SIGMA=0.05,0.25 ... PAIR_ORIENTATIONAL_ENTROPYThis action is not part of PLUMED and was included by using a LOAD command More detailsPAIR_ORIENTATIONAL_ENTROPY... LABEL=s2 CENTER=C START=N1 END=N2 MAXR=0.6 SIGMA=0.05,0.125 UP_DOWN_SYMMETRY ... PAIR_ORIENTATIONAL_ENTROPYThis action is not part of PLUMED and was included by using a LOAD command More detailsMANY_ANGLE_PLUS... LABEL=ma1 CENTER=C START=Ncenter END=O RCUT=1.0 NOPBC MEAN MOMENT2 ... MANY_ANGLE_PLUSThis action is not part of PLUMED and was included by using a LOAD command More detailsMANY_ANGLE_PLUS... LABEL=ma2 CENTER=C START=N1 END=N2 RCUT=1.0 NOPBC MEAN MOMENT2 ... MANY_ANGLE_PLUSThis action is not part of PLUMED and was included by using a LOAD command More detailsCOORDINATIONNUMBER...Calculate the coordination numbers of atoms so that you can then calculate functions of the distribution of More detailsLABEL=cna label for the action so that its output can be referenced in the input to other actionsSPECIES=Ncenterthis keyword is used for colvars such as coordination numberSWITCH={RATIONAL R_0=0.6 D_MAX=0.8}the switching function that it used in the construction of the contact matrixMORE_THAN1={RATIONAL R_0=8.0 D_MAX=9.0}calculate the number of variables that are more than a certain target valueMORE_THAN2={RATIONAL R_0=11.0 D_MAX=12.0}calculate the number of variables that are more than a certain target valueMOMENTS=2the list of moments that you would like to calculateLOWMEM... COORDINATIONNUMBERthis flag does nothing and is present only to ensure back-compatibility
# Construct a bias potential using metadynamics
The COORDINATIONNUMBER action with label cn calculates the following quantities:
Quantity Description cn.moment the moments of the distribution METAD...Used to performed metadynamics on one or more collective variables. More detailsLABEL=metada label for the action so that its output can be referenced in the input to other actionsARG=s1,s2 # Label of the CVthe input for this action is the scalar output from one or more other actionsPACE=500 # Pace in the deposition of the gaussiansthe frequency for hill additionHEIGHT=5.0 # Height of the gaussians in energy units kJ/mol. This is around 2 kT. 1kT = 2.494339the heights of the Gaussian hillsSIGMA=0.2,0.2 # Width of the gaussian in CV unitsthe widths of the Gaussian hillsFILE=HILLS # File where the information of the gaussians is printeda file in which the list of added hills is storedBIASFACTOR=100.0 # Bias factor in well tempered simulationsuse well tempered metadynamics and use this bias factorTEMP=300.0 # Temperature in Kelvin. Only needed for well tempered simulationsthe system temperature - this is only needed if you are doing well-tempered metadynamicsGRID_MIN=-15.0,-15.0 # The following three lines define a grid for the calculation of the bias potential. Use it **always**.the lower bounds for the gridGRID_MAX=0.0,0.0the upper bounds for the gridGRID_BIN=600,600the number of bins for the gridCALC_RCT... METADcalculate the c(t) reweighting factor and use that to obtain the normalized bias [rbias=bias-rct]
# Print value of the CV and bias to a file named COLVAR The METAD action with label metad calculates the following quantities:
Quantity Description metad.bias the instantaneous value of the bias potential metad.rbias the instantaneous value of the bias normalized using the c(t) reweighting factor [rbias=bias-rct] metad.rct the reweighting factor c(t) Print quantities to a file. More detailsSTRIDE=500the frequency with which the quantities of interest should be outputARGthe input for this action is the scalar output from one or more other actionsFILE=COLVARthe name of the file on which to output these quantities