Project ID: plumID:23.034
Source: GT_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 somethingc2:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=11,14 The CENTER action with label c2 calculates somethingc3:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=19,22 The CENTER action with label c3 calculates somethingc4:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=27,30 The CENTER action with label c4 calculates somethingc5:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=35,38 The CENTER action with label c5 calculates somethingc6:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=43,46 The CENTER action with label c6 calculates somethingc7:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=51,54 The CENTER action with label c7 calculates somethingc8:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=59,62 The CENTER action with label c8 calculates somethingc9:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=67,70 The CENTER action with label c9 calculates somethingc10:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=75,78 The CENTER action with label c10 calculates somethingc11:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=83,86 The CENTER action with label c11 calculates somethingc12:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=91,94 The CENTER action with label c12 calculates somethingc13:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=99,102 The CENTER action with label c13 calculates somethingc14:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=107,110 The CENTER action with label c14 calculates somethingc15:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=115,118 The CENTER action with label c15 calculates somethingc16:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=123,126 The CENTER action with label c16 calculates somethingc17:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=131,134 The CENTER action with label c17 calculates somethingc18:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=139,142 The CENTER action with label c18 calculates somethingc19:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=147,150 The CENTER action with label c19 calculates somethingc20:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=155,158 The CENTER action with label c20 calculates somethingc21:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=163,166 The CENTER action with label c21 calculates somethingc22:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=171,174 The CENTER action with label c22 calculates somethingc23:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=179,182 The CENTER action with label c23 calculates somethingc24:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=187,190 The CENTER action with label c24 calculates somethingc25:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=195,198 The CENTER action with label c25 calculates somethingc26:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=203,206 The CENTER action with label c26 calculates somethingc27:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=211,214 The CENTER action with label c27 calculates somethingc28:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=219,222 The CENTER action with label c28 calculates somethingc29:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=227,230 The CENTER action with label c29 calculates somethingc30:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=235,238 The CENTER action with label c30 calculates somethingc31:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=243,246 The CENTER action with label c31 calculates somethingc32:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=251,254 The CENTER action with label c32 calculates somethingc33:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=259,262 The CENTER action with label c33 calculates somethingc34:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=267,270 The CENTER action with label c34 calculates somethingc35:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=275,278 The CENTER action with label c35 calculates somethingc36:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=283,286 The CENTER action with label c36 calculates somethingc37:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=291,294 The CENTER action with label c37 calculates somethingc38:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=299,302 The CENTER action with label c38 calculates somethingc39:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=307,310 The CENTER action with label c39 calculates somethingc40:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=315,318 The CENTER action with label c40 calculates somethingc41:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=323,326 The CENTER action with label c41 calculates somethingc42:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=331,334 The CENTER action with label c42 calculates somethingc43:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=339,342 The CENTER action with label c43 calculates somethingc44:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=347,350 The CENTER action with label c44 calculates somethingc45:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=355,358 The CENTER action with label c45 calculates somethingc46:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=363,366 The CENTER action with label c46 calculates somethingc47:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=371,374 The CENTER action with label c47 calculates somethingc48:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=379,382 The CENTER action with label c48 calculates somethingc49:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=387,390 The CENTER action with label c49 calculates somethingc50:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=395,398 The CENTER action with label c50 calculates somethingc51:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=403,406 The CENTER action with label c51 calculates somethingc52:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=411,414 The CENTER action with label c52 calculates somethingc53:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=419,422 The CENTER action with label c53 calculates somethingc54:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=427,430 The CENTER action with label c54 calculates somethingc55:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=435,438 The CENTER action with label c55 calculates somethingc56:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=443,446 The CENTER action with label c56 calculates somethingc57:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=451,454 The CENTER action with label c57 calculates somethingc58:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=459,462 The CENTER action with label c58 calculates somethingc59:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=467,470 The CENTER action with label c59 calculates somethingc60:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=475,478 The CENTER action with label c60 calculates somethingc61:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=483,486 The CENTER action with label c61 calculates somethingc62:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=491,494 The CENTER action with label c62 calculates somethingc63:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=499,502 The CENTER action with label c63 calculates somethingc64:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=507,510 The CENTER action with label c64 calculates somethingc65:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=515,518 The CENTER action with label c65 calculates somethingc66:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=523,526 The CENTER action with label c66 calculates somethingc67:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=531,534 The CENTER action with label c67 calculates somethingc68:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=539,542 The CENTER action with label c68 calculates somethingc69:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=547,550 The CENTER action with label c69 calculates somethingc70:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=555,558 The CENTER action with label c70 calculates somethingc71:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=563,566 The CENTER action with label c71 calculates somethingc72:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=571,574 The CENTER action with label c72 calculates somethingc73:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=579,582 The CENTER action with label c73 calculates somethingc74:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=587,590 The CENTER action with label c74 calculates somethingc75:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=595,598 The CENTER action with label c75 calculates somethingc76:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=603,606 The CENTER action with label c76 calculates somethingc77:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=611,614 The CENTER action with label c77 calculates somethingc78:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=619,622 The CENTER action with label c78 calculates somethingc79:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=627,630 The CENTER action with label c79 calculates somethingc80:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=635,638 The CENTER action with label c80 calculates somethingc81:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=643,646 The CENTER action with label c81 calculates somethingc82:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=651,654 The CENTER action with label c82 calculates somethingc83:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=659,662 The CENTER action with label c83 calculates somethingc84:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=667,670 The CENTER action with label c84 calculates somethingc85:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=675,678 The CENTER action with label c85 calculates somethingc86:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=683,686 The CENTER action with label c86 calculates somethingc87:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=691,694 The CENTER action with label c87 calculates somethingc88:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=699,702 The CENTER action with label c88 calculates somethingc89:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=707,710 The CENTER action with label c89 calculates somethingc90:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=715,718 The CENTER action with label c90 calculates somethingc91:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=723,726 The CENTER action with label c91 calculates somethingc92:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=731,734 The CENTER action with label c92 calculates somethingc93:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=739,742 The CENTER action with label c93 calculates somethingc94:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=747,750 The CENTER action with label c94 calculates somethingc95:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=755,758 The CENTER action with label c95 calculates somethingc96:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=763,766 The CENTER action with label c96 calculates somethingc97:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=771,774 The CENTER action with label c97 calculates somethingc98:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=779,782 The CENTER action with label c98 calculates somethingc99:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=787,790 The CENTER action with label c99 calculates somethingc100:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=795,798 The CENTER action with label c100 calculates somethingc101:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=803,806 The CENTER action with label c101 calculates somethingc102:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=811,814 The CENTER action with label c102 calculates somethingc103:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=819,822 The CENTER action with label c103 calculates somethingc104:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=827,830 The CENTER action with label c104 calculates somethingc105:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=835,838 The CENTER action with label c105 calculates somethingc106:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=843,846 The CENTER action with label c106 calculates somethingc107:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=851,854 The CENTER action with label c107 calculates somethingc108:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=859,862 The CENTER action with label c108 calculates somethingc109:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=867,870 The CENTER action with label c109 calculates somethingc110:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=875,878 The CENTER action with label c110 calculates somethingc111:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=883,886 The CENTER action with label c111 calculates somethingc112:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=891,894 The CENTER action with label c112 calculates somethingc113:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=899,902 The CENTER action with label c113 calculates somethingc114:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=907,910 The CENTER action with label c114 calculates somethingc115:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=915,918 The CENTER action with label c115 calculates somethingc116:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=923,926 The CENTER action with label c116 calculates somethingc117:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=931,934 The CENTER action with label c117 calculates somethingc118:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=939,942 The CENTER action with label c118 calculates somethingc119:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=947,950 The CENTER action with label c119 calculates somethingc120:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=955,958 The CENTER action with label c120 calculates somethingc121:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=963,966 The CENTER action with label c121 calculates somethingc122:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=971,974 The CENTER action with label c122 calculates somethingc123:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=979,982 The CENTER action with label c123 calculates somethingc124:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=987,990 The CENTER action with label c124 calculates somethingc125:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=995,998 The CENTER action with label c125 calculates somethingc126:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1003,1006 The CENTER action with label c126 calculates somethingc127:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1011,1014 The CENTER action with label c127 calculates somethingc128:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1019,1022 The CENTER action with label c128 calculates somethingc129:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1027,1030 The CENTER action with label c129 calculates somethingc130:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1035,1038 The CENTER action with label c130 calculates somethingc131:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1043,1046 The CENTER action with label c131 calculates somethingc132:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1051,1054 The CENTER action with label c132 calculates somethingc133:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1059,1062 The CENTER action with label c133 calculates somethingc134:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1067,1070 The CENTER action with label c134 calculates somethingc135:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1075,1078 The CENTER action with label c135 calculates somethingc136:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1083,1086 The CENTER action with label c136 calculates somethingc137:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1091,1094 The CENTER action with label c137 calculates somethingc138:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1099,1102 The CENTER action with label c138 calculates somethingc139:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1107,1110 The CENTER action with label c139 calculates somethingc140:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1115,1118 The CENTER action with label c140 calculates somethingc141:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1123,1126 The CENTER action with label c141 calculates somethingc142:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1131,1134 The CENTER action with label c142 calculates somethingc143:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1139,1142 The CENTER action with label c143 calculates somethingc144:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1147,1150 The CENTER action with label c144 calculates somethingc145:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1155,1158 The CENTER action with label c145 calculates somethingc146:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1163,1166 The CENTER action with label c146 calculates somethingc147:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1171,1174 The CENTER action with label c147 calculates somethingc148:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1179,1182 The CENTER action with label c148 calculates somethingc149:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1187,1190 The CENTER action with label c149 calculates somethingc150:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1195,1198 The CENTER action with label c150 calculates somethingc151:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1203,1206 The CENTER action with label c151 calculates somethingc152:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1211,1214 The CENTER action with label c152 calculates somethingc153:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1219,1222 The CENTER action with label c153 calculates somethingc154:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1227,1230 The CENTER action with label c154 calculates somethingc155:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1235,1238 The CENTER action with label c155 calculates somethingc156:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1243,1246 The CENTER action with label c156 calculates somethingc157:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1251,1254 The CENTER action with label c157 calculates somethingc158:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1259,1262 The CENTER action with label c158 calculates somethingc159:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1267,1270 The CENTER action with label c159 calculates somethingc160:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1275,1278 The CENTER action with label c160 calculates somethingc161:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1283,1286 The CENTER action with label c161 calculates somethingc162:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1291,1294 The CENTER action with label c162 calculates somethingc163:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1299,1302 The CENTER action with label c163 calculates somethingc164:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1307,1310 The CENTER action with label c164 calculates somethingc165:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1315,1318 The CENTER action with label c165 calculates somethingc166:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1323,1326 The CENTER action with label c166 calculates somethingc167:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1331,1334 The CENTER action with label c167 calculates somethingc168:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1339,1342 The CENTER action with label c168 calculates somethingc169:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1347,1350 The CENTER action with label c169 calculates somethingc170:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1355,1358 The CENTER action with label c170 calculates somethingc171:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1363,1366 The CENTER action with label c171 calculates somethingc172:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1371,1374 The CENTER action with label c172 calculates somethingc173:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1379,1382 The CENTER action with label c173 calculates somethingc174:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1387,1390 The CENTER action with label c174 calculates somethingc175:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1395,1398 The CENTER action with label c175 calculates somethingc176:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1403,1406 The CENTER action with label c176 calculates somethingc177:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1411,1414 The CENTER action with label c177 calculates somethingc178:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1419,1422 The CENTER action with label c178 calculates somethingc179:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1427,1430 The CENTER action with label c179 calculates somethingc180:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1435,1438 The CENTER action with label c180 calculates somethingc181:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1443,1446 The CENTER action with label c181 calculates somethingc182:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1451,1454 The CENTER action with label c182 calculates somethingc183:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1459,1462 The CENTER action with label c183 calculates somethingc184:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1467,1470 The CENTER action with label c184 calculates somethingc185:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1475,1478 The CENTER action with label c185 calculates somethingc186:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1483,1486 The CENTER action with label c186 calculates somethingc187:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1491,1494 The CENTER action with label c187 calculates somethingc188:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1499,1502 The CENTER action with label c188 calculates somethingc189:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1507,1510 The CENTER action with label c189 calculates somethingc190:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1515,1518 The CENTER action with label c190 calculates somethingc191:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1523,1526 The CENTER action with label c191 calculates somethingc192:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1531,1534 The CENTER action with label c192 calculates somethingc193:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1539,1542 The CENTER action with label c193 calculates somethingc194:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1547,1550 The CENTER action with label c194 calculates somethingc195:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1555,1558 The CENTER action with label c195 calculates somethingc196:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1563,1566 The CENTER action with label c196 calculates somethingc197:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1571,1574 The CENTER action with label c197 calculates somethingc198:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1579,1582 The CENTER action with label c198 calculates somethingc199:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1587,1590 The CENTER action with label c199 calculates somethingc200:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1595,1598 The CENTER action with label c200 calculates somethingc201:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1603,1606 The CENTER action with label c201 calculates somethingc202:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1611,1614 The CENTER action with label c202 calculates somethingc203:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1619,1622 The CENTER action with label c203 calculates somethingc204:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1627,1630 The CENTER action with label c204 calculates somethingc205:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1635,1638 The CENTER action with label c205 calculates somethingc206:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1643,1646 The CENTER action with label c206 calculates somethingc207:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1651,1654 The CENTER action with label c207 calculates somethingc208:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1659,1662 The CENTER action with label c208 calculates somethingc209:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1667,1670 The CENTER action with label c209 calculates somethingc210:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1675,1678 The CENTER action with label c210 calculates somethingc211:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1683,1686 The CENTER action with label c211 calculates somethingc212:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1691,1694 The CENTER action with label c212 calculates somethingc213:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1699,1702 The CENTER action with label c213 calculates somethingc214:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1707,1710 The CENTER action with label c214 calculates somethingc215:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1715,1718 The CENTER action with label c215 calculates somethingc216:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1723,1726 The CENTER action with label c216 calculates somethingc217:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1731,1734 The CENTER action with label c217 calculates somethingc218:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1739,1742 The CENTER action with label c218 calculates somethingc219:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1747,1750 The CENTER action with label c219 calculates somethingc220:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1755,1758 The CENTER action with label c220 calculates somethingc221:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1763,1766 The CENTER action with label c221 calculates somethingc222:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1771,1774 The CENTER action with label c222 calculates somethingc223:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1779,1782 The CENTER action with label c223 calculates somethingc224:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1787,1790 The CENTER action with label c224 calculates somethingc225:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1795,1798 The CENTER action with label c225 calculates somethingc226:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1803,1806 The CENTER action with label c226 calculates somethingc227:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1811,1814 The CENTER action with label c227 calculates somethingc228:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1819,1822 The CENTER action with label c228 calculates somethingc229:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1827,1830 The CENTER action with label c229 calculates somethingc230:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1835,1838 The CENTER action with label c230 calculates somethingc231:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1843,1846 The CENTER action with label c231 calculates somethingc232:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1851,1854 The CENTER action with label c232 calculates somethingc233:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1859,1862 The CENTER action with label c233 calculates somethingc234:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1867,1870 The CENTER action with label c234 calculates somethingc235:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1875,1878 The CENTER action with label c235 calculates somethingc236:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1883,1886 The CENTER action with label c236 calculates somethingc237:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1891,1894 The CENTER action with label c237 calculates somethingc238:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1899,1902 The CENTER action with label c238 calculates somethingc239:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1907,1910 The CENTER action with label c239 calculates somethingc240:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1915,1918 The CENTER action with label c240 calculates somethingc241:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1923,1926 The CENTER action with label c241 calculates somethingc242:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1931,1934 The CENTER action with label c242 calculates somethingc243:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1939,1942 The CENTER action with label c243 calculates somethingc244:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1947,1950 The CENTER action with label c244 calculates somethingc245:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1955,1958 The CENTER action with label c245 calculates somethingc246:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1963,1966 The CENTER action with label c246 calculates somethingc247:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1971,1974 The CENTER action with label c247 calculates somethingc248:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1979,1982 The CENTER action with label c248 calculates somethingc249:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1987,1990 The CENTER action with label c249 calculates somethingc250:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=1995,1998 The CENTER action with label c250 calculates somethingc251:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=2003,2006 The CENTER action with label c251 calculates somethingc252:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=2011,2014 The CENTER action with label c252 calculates somethingc253:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=2019,2022 The CENTER action with label c253 calculates somethingc254:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=2027,2030 The CENTER action with label c254 calculates somethingc255:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=2035,2038 The CENTER action with label c255 calculates somethingc256:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=2043,2046 The CENTER action with label c256 calculates somethingc257:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=2051,2054 The CENTER action with label c257 calculates somethingc258:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=2059,2062 The CENTER action with label c258 calculates somethingc259:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=2067,2070 The CENTER action with label c259 calculates somethingc260:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=2075,2078 The CENTER action with label c260 calculates somethingc261:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=2083,2086 The CENTER action with label c261 calculates somethingc262:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=2091,2094 The CENTER action with label c262 calculates somethingc263:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=2099,2102 The CENTER action with label c263 calculates somethingc264:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=2107,2110 The CENTER action with label c264 calculates somethingc265:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=2115,2118 The CENTER action with label c265 calculates somethingc266:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=2123,2126 The CENTER action with label c266 calculates somethingc267:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=2131,2134 The CENTER action with label c267 calculates somethingc268:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=2139,2142 The CENTER action with label c268 calculates somethingc269:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=2147,2150 The CENTER action with label c269 calculates somethingc270:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=2155,2158 The CENTER action with label c270 calculates somethingc271:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=2163,2166 The CENTER action with label c271 calculates somethingc272:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=2171,2174 The CENTER action with label c272 calculates somethingc273:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=2179,2182 The CENTER action with label c273 calculates somethingc274:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=2187,2190 The CENTER action with label c274 calculates somethingc275:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=2195,2198 The CENTER action with label c275 calculates somethingc276:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=2203,2206 The CENTER action with label c276 calculates somethingc277:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=2211,2214 The CENTER action with label c277 calculates somethingc278:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=2219,2222 The CENTER action with label c278 calculates somethingc279:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=2227,2230 The CENTER action with label c279 calculates somethingc280:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=2235,2238 The CENTER action with label c280 calculates somethingc281:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=2243,2246 The CENTER action with label c281 calculates somethingc282:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=2251,2254 The CENTER action with label c282 calculates somethingc283:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=2259,2262 The CENTER action with label c283 calculates somethingc284:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=2267,2270 The CENTER action with label c284 calculates somethingc285:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=2275,2278 The CENTER action with label c285 calculates somethingc286:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=2283,2286 The CENTER action with label c286 calculates somethingc287:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=2291,2294 The CENTER action with label c287 calculates somethingc288:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=2299,2302 The CENTER action with label c288 calculates somethingc289:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=2307,2310 The CENTER action with label c289 calculates somethingc290:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=2315,2318 The CENTER action with label c290 calculates somethingc291:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=2323,2326 The CENTER action with label c291 calculates somethingc292:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=2331,2334 The CENTER action with label c292 calculates somethingc293:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=2339,2342 The CENTER action with label c293 calculates somethingc294:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=2347,2350 The CENTER action with label c294 calculates somethingc295:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=2355,2358 The CENTER action with label c295 calculates somethingc296:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=2363,2366 The CENTER action with label c296 calculates somethingc297:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=2371,2374 The CENTER action with label c297 calculates somethingc298:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=2379,2382 The CENTER action with label c298 calculates somethingc299:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=2387,2390 The CENTER action with label c299 calculates somethingc300:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate 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 somethingNcenter: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 somethingMETAD...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