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
Click on the labels of the actions for more information on what each action computes
LOADLoads a library, possibly defining new actions. More details FILEfile to be loaded=PairOrientationalEntropy.cpp
The LOAD action with label calculates somethingLOADLoads a library, possibly defining new actions. More details FILEfile to be loaded=ManyAnglePlus.cpp
INCLUDEIncludes an external input file, similar to #include in C preprocessor. More details. Show included file FILEfile to be included=centers.dat
# INCLUDE FILE=centers.dat
The INCLUDE action with label centers.dat calculates somethingc1: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=3,6
The CENTER action with label c1 calculates the following quantities: Quantity | Description |
c1.value | the position of the center of mass |
c2: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=11,14
The CENTER action with label c2 calculates the following quantities: Quantity | Description |
c2.value | the position of the center of mass |
c3: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=19,22
The CENTER action with label c3 calculates the following quantities: Quantity | Description |
c3.value | the position of the center of mass |
c4: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=27,30
The CENTER action with label c4 calculates the following quantities: Quantity | Description |
c4.value | the position of the center of mass |
c5: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=35,38
The CENTER action with label c5 calculates the following quantities: Quantity | Description |
c5.value | the position of the center of mass |
c6: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=43,46
The CENTER action with label c6 calculates the following quantities: Quantity | Description |
c6.value | the position of the center of mass |
c7: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=51,54
The CENTER action with label c7 calculates the following quantities: Quantity | Description |
c7.value | the position of the center of mass |
c8: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=59,62
The CENTER action with label c8 calculates the following quantities: Quantity | Description |
c8.value | the position of the center of mass |
c9: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=67,70
The CENTER action with label c9 calculates the following quantities: Quantity | Description |
c9.value | the position of the center of mass |
c10: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=75,78
The CENTER action with label c10 calculates the following quantities: Quantity | Description |
c10.value | the position of the center of mass |
c11: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=83,86
The CENTER action with label c11 calculates the following quantities: Quantity | Description |
c11.value | the position of the center of mass |
c12: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=91,94
The CENTER action with label c12 calculates the following quantities: Quantity | Description |
c12.value | the position of the center of mass |
c13: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=99,102
The CENTER action with label c13 calculates the following quantities: Quantity | Description |
c13.value | the position of the center of mass |
c14: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=107,110
The CENTER action with label c14 calculates the following quantities: Quantity | Description |
c14.value | the position of the center of mass |
c15: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=115,118
The CENTER action with label c15 calculates the following quantities: Quantity | Description |
c15.value | the position of the center of mass |
c16: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=123,126
The CENTER action with label c16 calculates the following quantities: Quantity | Description |
c16.value | the position of the center of mass |
c17: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=131,134
The CENTER action with label c17 calculates the following quantities: Quantity | Description |
c17.value | the position of the center of mass |
c18: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=139,142
The CENTER action with label c18 calculates the following quantities: Quantity | Description |
c18.value | the position of the center of mass |
c19: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=147,150
The CENTER action with label c19 calculates the following quantities: Quantity | Description |
c19.value | the position of the center of mass |
c20: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=155,158
The CENTER action with label c20 calculates the following quantities: Quantity | Description |
c20.value | the position of the center of mass |
c21: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=163,166
The CENTER action with label c21 calculates the following quantities: Quantity | Description |
c21.value | the position of the center of mass |
c22: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=171,174
The CENTER action with label c22 calculates the following quantities: Quantity | Description |
c22.value | the position of the center of mass |
c23: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=179,182
The CENTER action with label c23 calculates the following quantities: Quantity | Description |
c23.value | the position of the center of mass |
c24: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=187,190
The CENTER action with label c24 calculates the following quantities: Quantity | Description |
c24.value | the position of the center of mass |
c25: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=195,198
The CENTER action with label c25 calculates the following quantities: Quantity | Description |
c25.value | the position of the center of mass |
c26: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=203,206
The CENTER action with label c26 calculates the following quantities: Quantity | Description |
c26.value | the position of the center of mass |
c27: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=211,214
The CENTER action with label c27 calculates the following quantities: Quantity | Description |
c27.value | the position of the center of mass |
c28: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=219,222
The CENTER action with label c28 calculates the following quantities: Quantity | Description |
c28.value | the position of the center of mass |
c29: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=227,230
The CENTER action with label c29 calculates the following quantities: Quantity | Description |
c29.value | the position of the center of mass |
c30: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=235,238
The CENTER action with label c30 calculates the following quantities: Quantity | Description |
c30.value | the position of the center of mass |
c31: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=243,246
The CENTER action with label c31 calculates the following quantities: Quantity | Description |
c31.value | the position of the center of mass |
c32: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=251,254
The CENTER action with label c32 calculates the following quantities: Quantity | Description |
c32.value | the position of the center of mass |
c33: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=259,262
The CENTER action with label c33 calculates the following quantities: Quantity | Description |
c33.value | the position of the center of mass |
c34: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=267,270
The CENTER action with label c34 calculates the following quantities: Quantity | Description |
c34.value | the position of the center of mass |
c35: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=275,278
The CENTER action with label c35 calculates the following quantities: Quantity | Description |
c35.value | the position of the center of mass |
c36: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=283,286
The CENTER action with label c36 calculates the following quantities: Quantity | Description |
c36.value | the position of the center of mass |
c37: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=291,294
The CENTER action with label c37 calculates the following quantities: Quantity | Description |
c37.value | the position of the center of mass |
c38: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=299,302
The CENTER action with label c38 calculates the following quantities: Quantity | Description |
c38.value | the position of the center of mass |
c39: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=307,310
The CENTER action with label c39 calculates the following quantities: Quantity | Description |
c39.value | the position of the center of mass |
c40: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=315,318
The CENTER action with label c40 calculates the following quantities: Quantity | Description |
c40.value | the position of the center of mass |
c41: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=323,326
The CENTER action with label c41 calculates the following quantities: Quantity | Description |
c41.value | the position of the center of mass |
c42: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=331,334
The CENTER action with label c42 calculates the following quantities: Quantity | Description |
c42.value | the position of the center of mass |
c43: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=339,342
The CENTER action with label c43 calculates the following quantities: Quantity | Description |
c43.value | the position of the center of mass |
c44: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=347,350
The CENTER action with label c44 calculates the following quantities: Quantity | Description |
c44.value | the position of the center of mass |
c45: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=355,358
The CENTER action with label c45 calculates the following quantities: Quantity | Description |
c45.value | the position of the center of mass |
c46: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=363,366
The CENTER action with label c46 calculates the following quantities: Quantity | Description |
c46.value | the position of the center of mass |
c47: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=371,374
The CENTER action with label c47 calculates the following quantities: Quantity | Description |
c47.value | the position of the center of mass |
c48: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=379,382
The CENTER action with label c48 calculates the following quantities: Quantity | Description |
c48.value | the position of the center of mass |
c49: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=387,390
The CENTER action with label c49 calculates the following quantities: Quantity | Description |
c49.value | the position of the center of mass |
c50: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=395,398
The CENTER action with label c50 calculates the following quantities: Quantity | Description |
c50.value | the position of the center of mass |
c51: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=403,406
The CENTER action with label c51 calculates the following quantities: Quantity | Description |
c51.value | the position of the center of mass |
c52: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=411,414
The CENTER action with label c52 calculates the following quantities: Quantity | Description |
c52.value | the position of the center of mass |
c53: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=419,422
The CENTER action with label c53 calculates the following quantities: Quantity | Description |
c53.value | the position of the center of mass |
c54: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=427,430
The CENTER action with label c54 calculates the following quantities: Quantity | Description |
c54.value | the position of the center of mass |
c55: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=435,438
The CENTER action with label c55 calculates the following quantities: Quantity | Description |
c55.value | the position of the center of mass |
c56: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=443,446
The CENTER action with label c56 calculates the following quantities: Quantity | Description |
c56.value | the position of the center of mass |
c57: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=451,454
The CENTER action with label c57 calculates the following quantities: Quantity | Description |
c57.value | the position of the center of mass |
c58: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=459,462
The CENTER action with label c58 calculates the following quantities: Quantity | Description |
c58.value | the position of the center of mass |
c59: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=467,470
The CENTER action with label c59 calculates the following quantities: Quantity | Description |
c59.value | the position of the center of mass |
c60: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=475,478
The CENTER action with label c60 calculates the following quantities: Quantity | Description |
c60.value | the position of the center of mass |
c61: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=483,486
The CENTER action with label c61 calculates the following quantities: Quantity | Description |
c61.value | the position of the center of mass |
c62: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=491,494
The CENTER action with label c62 calculates the following quantities: Quantity | Description |
c62.value | the position of the center of mass |
c63: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=499,502
The CENTER action with label c63 calculates the following quantities: Quantity | Description |
c63.value | the position of the center of mass |
c64: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=507,510
The CENTER action with label c64 calculates the following quantities: Quantity | Description |
c64.value | the position of the center of mass |
c65: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=515,518
The CENTER action with label c65 calculates the following quantities: Quantity | Description |
c65.value | the position of the center of mass |
c66: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=523,526
The CENTER action with label c66 calculates the following quantities: Quantity | Description |
c66.value | the position of the center of mass |
c67: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=531,534
The CENTER action with label c67 calculates the following quantities: Quantity | Description |
c67.value | the position of the center of mass |
c68: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=539,542
The CENTER action with label c68 calculates the following quantities: Quantity | Description |
c68.value | the position of the center of mass |
c69: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=547,550
The CENTER action with label c69 calculates the following quantities: Quantity | Description |
c69.value | the position of the center of mass |
c70: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=555,558
The CENTER action with label c70 calculates the following quantities: Quantity | Description |
c70.value | the position of the center of mass |
c71: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=563,566
The CENTER action with label c71 calculates the following quantities: Quantity | Description |
c71.value | the position of the center of mass |
c72: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=571,574
The CENTER action with label c72 calculates the following quantities: Quantity | Description |
c72.value | the position of the center of mass |
c73: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=579,582
The CENTER action with label c73 calculates the following quantities: Quantity | Description |
c73.value | the position of the center of mass |
c74: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=587,590
The CENTER action with label c74 calculates the following quantities: Quantity | Description |
c74.value | the position of the center of mass |
c75: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=595,598
The CENTER action with label c75 calculates the following quantities: Quantity | Description |
c75.value | the position of the center of mass |
c76: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=603,606
The CENTER action with label c76 calculates the following quantities: Quantity | Description |
c76.value | the position of the center of mass |
c77: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=611,614
The CENTER action with label c77 calculates the following quantities: Quantity | Description |
c77.value | the position of the center of mass |
c78: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=619,622
The CENTER action with label c78 calculates the following quantities: Quantity | Description |
c78.value | the position of the center of mass |
c79: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=627,630
The CENTER action with label c79 calculates the following quantities: Quantity | Description |
c79.value | the position of the center of mass |
c80: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=635,638
The CENTER action with label c80 calculates the following quantities: Quantity | Description |
c80.value | the position of the center of mass |
c81: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=643,646
The CENTER action with label c81 calculates the following quantities: Quantity | Description |
c81.value | the position of the center of mass |
c82: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=651,654
The CENTER action with label c82 calculates the following quantities: Quantity | Description |
c82.value | the position of the center of mass |
c83: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=659,662
The CENTER action with label c83 calculates the following quantities: Quantity | Description |
c83.value | the position of the center of mass |
c84: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=667,670
The CENTER action with label c84 calculates the following quantities: Quantity | Description |
c84.value | the position of the center of mass |
c85: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=675,678
The CENTER action with label c85 calculates the following quantities: Quantity | Description |
c85.value | the position of the center of mass |
c86: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=683,686
The CENTER action with label c86 calculates the following quantities: Quantity | Description |
c86.value | the position of the center of mass |
c87: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=691,694
The CENTER action with label c87 calculates the following quantities: Quantity | Description |
c87.value | the position of the center of mass |
c88: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=699,702
The CENTER action with label c88 calculates the following quantities: Quantity | Description |
c88.value | the position of the center of mass |
c89: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=707,710
The CENTER action with label c89 calculates the following quantities: Quantity | Description |
c89.value | the position of the center of mass |
c90: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=715,718
The CENTER action with label c90 calculates the following quantities: Quantity | Description |
c90.value | the position of the center of mass |
c91: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=723,726
The CENTER action with label c91 calculates the following quantities: Quantity | Description |
c91.value | the position of the center of mass |
c92: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=731,734
The CENTER action with label c92 calculates the following quantities: Quantity | Description |
c92.value | the position of the center of mass |
c93: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=739,742
The CENTER action with label c93 calculates the following quantities: Quantity | Description |
c93.value | the position of the center of mass |
c94: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=747,750
The CENTER action with label c94 calculates the following quantities: Quantity | Description |
c94.value | the position of the center of mass |
c95: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=755,758
The CENTER action with label c95 calculates the following quantities: Quantity | Description |
c95.value | the position of the center of mass |
c96: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=763,766
The CENTER action with label c96 calculates the following quantities: Quantity | Description |
c96.value | the position of the center of mass |
c97: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=771,774
The CENTER action with label c97 calculates the following quantities: Quantity | Description |
c97.value | the position of the center of mass |
c98: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=779,782
The CENTER action with label c98 calculates the following quantities: Quantity | Description |
c98.value | the position of the center of mass |
c99: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=787,790
The CENTER action with label c99 calculates the following quantities: Quantity | Description |
c99.value | the position of the center of mass |
c100: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=795,798
The CENTER action with label c100 calculates the following quantities: Quantity | Description |
c100.value | the position of the center of mass |
c101: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=803,806
The CENTER action with label c101 calculates the following quantities: Quantity | Description |
c101.value | the position of the center of mass |
c102: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=811,814
The CENTER action with label c102 calculates the following quantities: Quantity | Description |
c102.value | the position of the center of mass |
c103: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=819,822
The CENTER action with label c103 calculates the following quantities: Quantity | Description |
c103.value | the position of the center of mass |
c104: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=827,830
The CENTER action with label c104 calculates the following quantities: Quantity | Description |
c104.value | the position of the center of mass |
c105: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=835,838
The CENTER action with label c105 calculates the following quantities: Quantity | Description |
c105.value | the position of the center of mass |
c106: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=843,846
The CENTER action with label c106 calculates the following quantities: Quantity | Description |
c106.value | the position of the center of mass |
c107: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=851,854
The CENTER action with label c107 calculates the following quantities: Quantity | Description |
c107.value | the position of the center of mass |
c108: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=859,862
The CENTER action with label c108 calculates the following quantities: Quantity | Description |
c108.value | the position of the center of mass |
c109: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=867,870
The CENTER action with label c109 calculates the following quantities: Quantity | Description |
c109.value | the position of the center of mass |
c110: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=875,878
The CENTER action with label c110 calculates the following quantities: Quantity | Description |
c110.value | the position of the center of mass |
c111: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=883,886
The CENTER action with label c111 calculates the following quantities: Quantity | Description |
c111.value | the position of the center of mass |
c112: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=891,894
The CENTER action with label c112 calculates the following quantities: Quantity | Description |
c112.value | the position of the center of mass |
c113: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=899,902
The CENTER action with label c113 calculates the following quantities: Quantity | Description |
c113.value | the position of the center of mass |
c114: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=907,910
The CENTER action with label c114 calculates the following quantities: Quantity | Description |
c114.value | the position of the center of mass |
c115: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=915,918
The CENTER action with label c115 calculates the following quantities: Quantity | Description |
c115.value | the position of the center of mass |
c116: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=923,926
The CENTER action with label c116 calculates the following quantities: Quantity | Description |
c116.value | the position of the center of mass |
c117: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=931,934
The CENTER action with label c117 calculates the following quantities: Quantity | Description |
c117.value | the position of the center of mass |
c118: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=939,942
The CENTER action with label c118 calculates the following quantities: Quantity | Description |
c118.value | the position of the center of mass |
c119: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=947,950
The CENTER action with label c119 calculates the following quantities: Quantity | Description |
c119.value | the position of the center of mass |
c120: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=955,958
The CENTER action with label c120 calculates the following quantities: Quantity | Description |
c120.value | the position of the center of mass |
c121: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=963,966
The CENTER action with label c121 calculates the following quantities: Quantity | Description |
c121.value | the position of the center of mass |
c122: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=971,974
The CENTER action with label c122 calculates the following quantities: Quantity | Description |
c122.value | the position of the center of mass |
c123: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=979,982
The CENTER action with label c123 calculates the following quantities: Quantity | Description |
c123.value | the position of the center of mass |
c124: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=987,990
The CENTER action with label c124 calculates the following quantities: Quantity | Description |
c124.value | the position of the center of mass |
c125: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=995,998
The CENTER action with label c125 calculates the following quantities: Quantity | Description |
c125.value | the position of the center of mass |
c126: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1003,1006
The CENTER action with label c126 calculates the following quantities: Quantity | Description |
c126.value | the position of the center of mass |
c127: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1011,1014
The CENTER action with label c127 calculates the following quantities: Quantity | Description |
c127.value | the position of the center of mass |
c128: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1019,1022
The CENTER action with label c128 calculates the following quantities: Quantity | Description |
c128.value | the position of the center of mass |
c129: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1027,1030
The CENTER action with label c129 calculates the following quantities: Quantity | Description |
c129.value | the position of the center of mass |
c130: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1035,1038
The CENTER action with label c130 calculates the following quantities: Quantity | Description |
c130.value | the position of the center of mass |
c131: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1043,1046
The CENTER action with label c131 calculates the following quantities: Quantity | Description |
c131.value | the position of the center of mass |
c132: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1051,1054
The CENTER action with label c132 calculates the following quantities: Quantity | Description |
c132.value | the position of the center of mass |
c133: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1059,1062
The CENTER action with label c133 calculates the following quantities: Quantity | Description |
c133.value | the position of the center of mass |
c134: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1067,1070
The CENTER action with label c134 calculates the following quantities: Quantity | Description |
c134.value | the position of the center of mass |
c135: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1075,1078
The CENTER action with label c135 calculates the following quantities: Quantity | Description |
c135.value | the position of the center of mass |
c136: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1083,1086
The CENTER action with label c136 calculates the following quantities: Quantity | Description |
c136.value | the position of the center of mass |
c137: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1091,1094
The CENTER action with label c137 calculates the following quantities: Quantity | Description |
c137.value | the position of the center of mass |
c138: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1099,1102
The CENTER action with label c138 calculates the following quantities: Quantity | Description |
c138.value | the position of the center of mass |
c139: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1107,1110
The CENTER action with label c139 calculates the following quantities: Quantity | Description |
c139.value | the position of the center of mass |
c140: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1115,1118
The CENTER action with label c140 calculates the following quantities: Quantity | Description |
c140.value | the position of the center of mass |
c141: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1123,1126
The CENTER action with label c141 calculates the following quantities: Quantity | Description |
c141.value | the position of the center of mass |
c142: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1131,1134
The CENTER action with label c142 calculates the following quantities: Quantity | Description |
c142.value | the position of the center of mass |
c143: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1139,1142
The CENTER action with label c143 calculates the following quantities: Quantity | Description |
c143.value | the position of the center of mass |
c144: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1147,1150
The CENTER action with label c144 calculates the following quantities: Quantity | Description |
c144.value | the position of the center of mass |
c145: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1155,1158
The CENTER action with label c145 calculates the following quantities: Quantity | Description |
c145.value | the position of the center of mass |
c146: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1163,1166
The CENTER action with label c146 calculates the following quantities: Quantity | Description |
c146.value | the position of the center of mass |
c147: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1171,1174
The CENTER action with label c147 calculates the following quantities: Quantity | Description |
c147.value | the position of the center of mass |
c148: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1179,1182
The CENTER action with label c148 calculates the following quantities: Quantity | Description |
c148.value | the position of the center of mass |
c149: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1187,1190
The CENTER action with label c149 calculates the following quantities: Quantity | Description |
c149.value | the position of the center of mass |
c150: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1195,1198
The CENTER action with label c150 calculates the following quantities: Quantity | Description |
c150.value | the position of the center of mass |
c151: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1203,1206
The CENTER action with label c151 calculates the following quantities: Quantity | Description |
c151.value | the position of the center of mass |
c152: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1211,1214
The CENTER action with label c152 calculates the following quantities: Quantity | Description |
c152.value | the position of the center of mass |
c153: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1219,1222
The CENTER action with label c153 calculates the following quantities: Quantity | Description |
c153.value | the position of the center of mass |
c154: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1227,1230
The CENTER action with label c154 calculates the following quantities: Quantity | Description |
c154.value | the position of the center of mass |
c155: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1235,1238
The CENTER action with label c155 calculates the following quantities: Quantity | Description |
c155.value | the position of the center of mass |
c156: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1243,1246
The CENTER action with label c156 calculates the following quantities: Quantity | Description |
c156.value | the position of the center of mass |
c157: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1251,1254
The CENTER action with label c157 calculates the following quantities: Quantity | Description |
c157.value | the position of the center of mass |
c158: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1259,1262
The CENTER action with label c158 calculates the following quantities: Quantity | Description |
c158.value | the position of the center of mass |
c159: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1267,1270
The CENTER action with label c159 calculates the following quantities: Quantity | Description |
c159.value | the position of the center of mass |
c160: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1275,1278
The CENTER action with label c160 calculates the following quantities: Quantity | Description |
c160.value | the position of the center of mass |
c161: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1283,1286
The CENTER action with label c161 calculates the following quantities: Quantity | Description |
c161.value | the position of the center of mass |
c162: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1291,1294
The CENTER action with label c162 calculates the following quantities: Quantity | Description |
c162.value | the position of the center of mass |
c163: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1299,1302
The CENTER action with label c163 calculates the following quantities: Quantity | Description |
c163.value | the position of the center of mass |
c164: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1307,1310
The CENTER action with label c164 calculates the following quantities: Quantity | Description |
c164.value | the position of the center of mass |
c165: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1315,1318
The CENTER action with label c165 calculates the following quantities: Quantity | Description |
c165.value | the position of the center of mass |
c166: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1323,1326
The CENTER action with label c166 calculates the following quantities: Quantity | Description |
c166.value | the position of the center of mass |
c167: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1331,1334
The CENTER action with label c167 calculates the following quantities: Quantity | Description |
c167.value | the position of the center of mass |
c168: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1339,1342
The CENTER action with label c168 calculates the following quantities: Quantity | Description |
c168.value | the position of the center of mass |
c169: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1347,1350
The CENTER action with label c169 calculates the following quantities: Quantity | Description |
c169.value | the position of the center of mass |
c170: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1355,1358
The CENTER action with label c170 calculates the following quantities: Quantity | Description |
c170.value | the position of the center of mass |
c171: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1363,1366
The CENTER action with label c171 calculates the following quantities: Quantity | Description |
c171.value | the position of the center of mass |
c172: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1371,1374
The CENTER action with label c172 calculates the following quantities: Quantity | Description |
c172.value | the position of the center of mass |
c173: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1379,1382
The CENTER action with label c173 calculates the following quantities: Quantity | Description |
c173.value | the position of the center of mass |
c174: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1387,1390
The CENTER action with label c174 calculates the following quantities: Quantity | Description |
c174.value | the position of the center of mass |
c175: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1395,1398
The CENTER action with label c175 calculates the following quantities: Quantity | Description |
c175.value | the position of the center of mass |
c176: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1403,1406
The CENTER action with label c176 calculates the following quantities: Quantity | Description |
c176.value | the position of the center of mass |
c177: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1411,1414
The CENTER action with label c177 calculates the following quantities: Quantity | Description |
c177.value | the position of the center of mass |
c178: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1419,1422
The CENTER action with label c178 calculates the following quantities: Quantity | Description |
c178.value | the position of the center of mass |
c179: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1427,1430
The CENTER action with label c179 calculates the following quantities: Quantity | Description |
c179.value | the position of the center of mass |
c180: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1435,1438
The CENTER action with label c180 calculates the following quantities: Quantity | Description |
c180.value | the position of the center of mass |
c181: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1443,1446
The CENTER action with label c181 calculates the following quantities: Quantity | Description |
c181.value | the position of the center of mass |
c182: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1451,1454
The CENTER action with label c182 calculates the following quantities: Quantity | Description |
c182.value | the position of the center of mass |
c183: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1459,1462
The CENTER action with label c183 calculates the following quantities: Quantity | Description |
c183.value | the position of the center of mass |
c184: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1467,1470
The CENTER action with label c184 calculates the following quantities: Quantity | Description |
c184.value | the position of the center of mass |
c185: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1475,1478
The CENTER action with label c185 calculates the following quantities: Quantity | Description |
c185.value | the position of the center of mass |
c186: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1483,1486
The CENTER action with label c186 calculates the following quantities: Quantity | Description |
c186.value | the position of the center of mass |
c187: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1491,1494
The CENTER action with label c187 calculates the following quantities: Quantity | Description |
c187.value | the position of the center of mass |
c188: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1499,1502
The CENTER action with label c188 calculates the following quantities: Quantity | Description |
c188.value | the position of the center of mass |
c189: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1507,1510
The CENTER action with label c189 calculates the following quantities: Quantity | Description |
c189.value | the position of the center of mass |
c190: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1515,1518
The CENTER action with label c190 calculates the following quantities: Quantity | Description |
c190.value | the position of the center of mass |
c191: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1523,1526
The CENTER action with label c191 calculates the following quantities: Quantity | Description |
c191.value | the position of the center of mass |
c192: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1531,1534
The CENTER action with label c192 calculates the following quantities: Quantity | Description |
c192.value | the position of the center of mass |
c193: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1539,1542
The CENTER action with label c193 calculates the following quantities: Quantity | Description |
c193.value | the position of the center of mass |
c194: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1547,1550
The CENTER action with label c194 calculates the following quantities: Quantity | Description |
c194.value | the position of the center of mass |
c195: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1555,1558
The CENTER action with label c195 calculates the following quantities: Quantity | Description |
c195.value | the position of the center of mass |
c196: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1563,1566
The CENTER action with label c196 calculates the following quantities: Quantity | Description |
c196.value | the position of the center of mass |
c197: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1571,1574
The CENTER action with label c197 calculates the following quantities: Quantity | Description |
c197.value | the position of the center of mass |
c198: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1579,1582
The CENTER action with label c198 calculates the following quantities: Quantity | Description |
c198.value | the position of the center of mass |
c199: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1587,1590
The CENTER action with label c199 calculates the following quantities: Quantity | Description |
c199.value | the position of the center of mass |
c200: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1595,1598
The CENTER action with label c200 calculates the following quantities: Quantity | Description |
c200.value | the position of the center of mass |
c201: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1603,1606
The CENTER action with label c201 calculates the following quantities: Quantity | Description |
c201.value | the position of the center of mass |
c202: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1611,1614
The CENTER action with label c202 calculates the following quantities: Quantity | Description |
c202.value | the position of the center of mass |
c203: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1619,1622
The CENTER action with label c203 calculates the following quantities: Quantity | Description |
c203.value | the position of the center of mass |
c204: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1627,1630
The CENTER action with label c204 calculates the following quantities: Quantity | Description |
c204.value | the position of the center of mass |
c205: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1635,1638
The CENTER action with label c205 calculates the following quantities: Quantity | Description |
c205.value | the position of the center of mass |
c206: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1643,1646
The CENTER action with label c206 calculates the following quantities: Quantity | Description |
c206.value | the position of the center of mass |
c207: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1651,1654
The CENTER action with label c207 calculates the following quantities: Quantity | Description |
c207.value | the position of the center of mass |
c208: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1659,1662
The CENTER action with label c208 calculates the following quantities: Quantity | Description |
c208.value | the position of the center of mass |
c209: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1667,1670
The CENTER action with label c209 calculates the following quantities: Quantity | Description |
c209.value | the position of the center of mass |
c210: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1675,1678
The CENTER action with label c210 calculates the following quantities: Quantity | Description |
c210.value | the position of the center of mass |
c211: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1683,1686
The CENTER action with label c211 calculates the following quantities: Quantity | Description |
c211.value | the position of the center of mass |
c212: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1691,1694
The CENTER action with label c212 calculates the following quantities: Quantity | Description |
c212.value | the position of the center of mass |
c213: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1699,1702
The CENTER action with label c213 calculates the following quantities: Quantity | Description |
c213.value | the position of the center of mass |
c214: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1707,1710
The CENTER action with label c214 calculates the following quantities: Quantity | Description |
c214.value | the position of the center of mass |
c215: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1715,1718
The CENTER action with label c215 calculates the following quantities: Quantity | Description |
c215.value | the position of the center of mass |
c216: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1723,1726
The CENTER action with label c216 calculates the following quantities: Quantity | Description |
c216.value | the position of the center of mass |
c217: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1731,1734
The CENTER action with label c217 calculates the following quantities: Quantity | Description |
c217.value | the position of the center of mass |
c218: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1739,1742
The CENTER action with label c218 calculates the following quantities: Quantity | Description |
c218.value | the position of the center of mass |
c219: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1747,1750
The CENTER action with label c219 calculates the following quantities: Quantity | Description |
c219.value | the position of the center of mass |
c220: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1755,1758
The CENTER action with label c220 calculates the following quantities: Quantity | Description |
c220.value | the position of the center of mass |
c221: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1763,1766
The CENTER action with label c221 calculates the following quantities: Quantity | Description |
c221.value | the position of the center of mass |
c222: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1771,1774
The CENTER action with label c222 calculates the following quantities: Quantity | Description |
c222.value | the position of the center of mass |
c223: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1779,1782
The CENTER action with label c223 calculates the following quantities: Quantity | Description |
c223.value | the position of the center of mass |
c224: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1787,1790
The CENTER action with label c224 calculates the following quantities: Quantity | Description |
c224.value | the position of the center of mass |
c225: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1795,1798
The CENTER action with label c225 calculates the following quantities: Quantity | Description |
c225.value | the position of the center of mass |
c226: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1803,1806
The CENTER action with label c226 calculates the following quantities: Quantity | Description |
c226.value | the position of the center of mass |
c227: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1811,1814
The CENTER action with label c227 calculates the following quantities: Quantity | Description |
c227.value | the position of the center of mass |
c228: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1819,1822
The CENTER action with label c228 calculates the following quantities: Quantity | Description |
c228.value | the position of the center of mass |
c229: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1827,1830
The CENTER action with label c229 calculates the following quantities: Quantity | Description |
c229.value | the position of the center of mass |
c230: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1835,1838
The CENTER action with label c230 calculates the following quantities: Quantity | Description |
c230.value | the position of the center of mass |
c231: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1843,1846
The CENTER action with label c231 calculates the following quantities: Quantity | Description |
c231.value | the position of the center of mass |
c232: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1851,1854
The CENTER action with label c232 calculates the following quantities: Quantity | Description |
c232.value | the position of the center of mass |
c233: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1859,1862
The CENTER action with label c233 calculates the following quantities: Quantity | Description |
c233.value | the position of the center of mass |
c234: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1867,1870
The CENTER action with label c234 calculates the following quantities: Quantity | Description |
c234.value | the position of the center of mass |
c235: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1875,1878
The CENTER action with label c235 calculates the following quantities: Quantity | Description |
c235.value | the position of the center of mass |
c236: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1883,1886
The CENTER action with label c236 calculates the following quantities: Quantity | Description |
c236.value | the position of the center of mass |
c237: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1891,1894
The CENTER action with label c237 calculates the following quantities: Quantity | Description |
c237.value | the position of the center of mass |
c238: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1899,1902
The CENTER action with label c238 calculates the following quantities: Quantity | Description |
c238.value | the position of the center of mass |
c239: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1907,1910
The CENTER action with label c239 calculates the following quantities: Quantity | Description |
c239.value | the position of the center of mass |
c240: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1915,1918
The CENTER action with label c240 calculates the following quantities: Quantity | Description |
c240.value | the position of the center of mass |
c241: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1923,1926
The CENTER action with label c241 calculates the following quantities: Quantity | Description |
c241.value | the position of the center of mass |
c242: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1931,1934
The CENTER action with label c242 calculates the following quantities: Quantity | Description |
c242.value | the position of the center of mass |
c243: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1939,1942
The CENTER action with label c243 calculates the following quantities: Quantity | Description |
c243.value | the position of the center of mass |
c244: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1947,1950
The CENTER action with label c244 calculates the following quantities: Quantity | Description |
c244.value | the position of the center of mass |
c245: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1955,1958
The CENTER action with label c245 calculates the following quantities: Quantity | Description |
c245.value | the position of the center of mass |
c246: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1963,1966
The CENTER action with label c246 calculates the following quantities: Quantity | Description |
c246.value | the position of the center of mass |
c247: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1971,1974
The CENTER action with label c247 calculates the following quantities: Quantity | Description |
c247.value | the position of the center of mass |
c248: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1979,1982
The CENTER action with label c248 calculates the following quantities: Quantity | Description |
c248.value | the position of the center of mass |
c249: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1987,1990
The CENTER action with label c249 calculates the following quantities: Quantity | Description |
c249.value | the position of the center of mass |
c250: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=1995,1998
The CENTER action with label c250 calculates the following quantities: Quantity | Description |
c250.value | the position of the center of mass |
c251: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=2003,2006
The CENTER action with label c251 calculates the following quantities: Quantity | Description |
c251.value | the position of the center of mass |
c252: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=2011,2014
The CENTER action with label c252 calculates the following quantities: Quantity | Description |
c252.value | the position of the center of mass |
c253: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=2019,2022
The CENTER action with label c253 calculates the following quantities: Quantity | Description |
c253.value | the position of the center of mass |
c254: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=2027,2030
The CENTER action with label c254 calculates the following quantities: Quantity | Description |
c254.value | the position of the center of mass |
c255: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=2035,2038
The CENTER action with label c255 calculates the following quantities: Quantity | Description |
c255.value | the position of the center of mass |
c256: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=2043,2046
The CENTER action with label c256 calculates the following quantities: Quantity | Description |
c256.value | the position of the center of mass |
c257: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=2051,2054
The CENTER action with label c257 calculates the following quantities: Quantity | Description |
c257.value | the position of the center of mass |
c258: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=2059,2062
The CENTER action with label c258 calculates the following quantities: Quantity | Description |
c258.value | the position of the center of mass |
c259: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=2067,2070
The CENTER action with label c259 calculates the following quantities: Quantity | Description |
c259.value | the position of the center of mass |
c260: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=2075,2078
The CENTER action with label c260 calculates the following quantities: Quantity | Description |
c260.value | the position of the center of mass |
c261: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=2083,2086
The CENTER action with label c261 calculates the following quantities: Quantity | Description |
c261.value | the position of the center of mass |
c262: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=2091,2094
The CENTER action with label c262 calculates the following quantities: Quantity | Description |
c262.value | the position of the center of mass |
c263: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=2099,2102
The CENTER action with label c263 calculates the following quantities: Quantity | Description |
c263.value | the position of the center of mass |
c264: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=2107,2110
The CENTER action with label c264 calculates the following quantities: Quantity | Description |
c264.value | the position of the center of mass |
c265: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=2115,2118
The CENTER action with label c265 calculates the following quantities: Quantity | Description |
c265.value | the position of the center of mass |
c266: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=2123,2126
The CENTER action with label c266 calculates the following quantities: Quantity | Description |
c266.value | the position of the center of mass |
c267: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=2131,2134
The CENTER action with label c267 calculates the following quantities: Quantity | Description |
c267.value | the position of the center of mass |
c268: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=2139,2142
The CENTER action with label c268 calculates the following quantities: Quantity | Description |
c268.value | the position of the center of mass |
c269: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=2147,2150
The CENTER action with label c269 calculates the following quantities: Quantity | Description |
c269.value | the position of the center of mass |
c270: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=2155,2158
The CENTER action with label c270 calculates the following quantities: Quantity | Description |
c270.value | the position of the center of mass |
c271: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=2163,2166
The CENTER action with label c271 calculates the following quantities: Quantity | Description |
c271.value | the position of the center of mass |
c272: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=2171,2174
The CENTER action with label c272 calculates the following quantities: Quantity | Description |
c272.value | the position of the center of mass |
c273: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=2179,2182
The CENTER action with label c273 calculates the following quantities: Quantity | Description |
c273.value | the position of the center of mass |
c274: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=2187,2190
The CENTER action with label c274 calculates the following quantities: Quantity | Description |
c274.value | the position of the center of mass |
c275: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=2195,2198
The CENTER action with label c275 calculates the following quantities: Quantity | Description |
c275.value | the position of the center of mass |
c276: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=2203,2206
The CENTER action with label c276 calculates the following quantities: Quantity | Description |
c276.value | the position of the center of mass |
c277: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=2211,2214
The CENTER action with label c277 calculates the following quantities: Quantity | Description |
c277.value | the position of the center of mass |
c278: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=2219,2222
The CENTER action with label c278 calculates the following quantities: Quantity | Description |
c278.value | the position of the center of mass |
c279: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=2227,2230
The CENTER action with label c279 calculates the following quantities: Quantity | Description |
c279.value | the position of the center of mass |
c280: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=2235,2238
The CENTER action with label c280 calculates the following quantities: Quantity | Description |
c280.value | the position of the center of mass |
c281: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=2243,2246
The CENTER action with label c281 calculates the following quantities: Quantity | Description |
c281.value | the position of the center of mass |
c282: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=2251,2254
The CENTER action with label c282 calculates the following quantities: Quantity | Description |
c282.value | the position of the center of mass |
c283: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=2259,2262
The CENTER action with label c283 calculates the following quantities: Quantity | Description |
c283.value | the position of the center of mass |
c284: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=2267,2270
The CENTER action with label c284 calculates the following quantities: Quantity | Description |
c284.value | the position of the center of mass |
c285: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=2275,2278
The CENTER action with label c285 calculates the following quantities: Quantity | Description |
c285.value | the position of the center of mass |
c286: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=2283,2286
The CENTER action with label c286 calculates the following quantities: Quantity | Description |
c286.value | the position of the center of mass |
c287: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=2291,2294
The CENTER action with label c287 calculates the following quantities: Quantity | Description |
c287.value | the position of the center of mass |
c288: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=2299,2302
The CENTER action with label c288 calculates the following quantities: Quantity | Description |
c288.value | the position of the center of mass |
c289: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=2307,2310
The CENTER action with label c289 calculates the following quantities: Quantity | Description |
c289.value | the position of the center of mass |
c290: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=2315,2318
The CENTER action with label c290 calculates the following quantities: Quantity | Description |
c290.value | the position of the center of mass |
c291: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=2323,2326
The CENTER action with label c291 calculates the following quantities: Quantity | Description |
c291.value | the position of the center of mass |
c292: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=2331,2334
The CENTER action with label c292 calculates the following quantities: Quantity | Description |
c292.value | the position of the center of mass |
c293: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=2339,2342
The CENTER action with label c293 calculates the following quantities: Quantity | Description |
c293.value | the position of the center of mass |
c294: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=2347,2350
The CENTER action with label c294 calculates the following quantities: Quantity | Description |
c294.value | the position of the center of mass |
c295: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=2355,2358
The CENTER action with label c295 calculates the following quantities: Quantity | Description |
c295.value | the position of the center of mass |
c296: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=2363,2366
The CENTER action with label c296 calculates the following quantities: Quantity | Description |
c296.value | the position of the center of mass |
c297: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=2371,2374
The CENTER action with label c297 calculates the following quantities: Quantity | Description |
c297.value | the position of the center of mass |
c298: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=2379,2382
The CENTER action with label c298 calculates the following quantities: Quantity | Description |
c298.value | the position of the center of mass |
c299: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=2387,2390
The CENTER action with label c299 calculates the following quantities: Quantity | Description |
c299.value | the position of the center of mass |
c300: CENTERCalculate the center for a group of atoms, with arbitrary weights. More details ATOMSthe group of atoms that you are calculating the Gyration Tensor for=2395,2398
The CENTER action with label c300 calculates the following quantities: Quantity | Description |
c300.value | the position of the center of mass |
Ncenter: 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 details ATOMSthe numerical indexes for the set of atoms in the group=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,c300
# --- 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 details ATOMSthe numerical indexes for the set of atoms in the group=1-2400:8
The GROUP action with label C calculates somethingO: 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 details ATOMSthe numerical indexes for the set of atoms in the group=2-2400:8
The GROUP action with label O calculates somethingN1: 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 details ATOMSthe numerical indexes for the set of atoms in the group=3-2400:8
The GROUP action with label N1 calculates somethingN2: 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 details ATOMSthe numerical indexes for the set of atoms in the group=6-2400:8
The GROUP action with label N2 calculates somethingPAIR_ORIENTATIONAL_ENTROPYThis action is not part of PLUMED and was included by using a LOAD command More details ...
LABEL=s1
CENTER=C
START=Ncenter
END=O
MAXR=0.6
SIGMA=0.05,0.25
... PAIR_ORIENTATIONAL_ENTROPY
PAIR_ORIENTATIONAL_ENTROPYThis action is not part of PLUMED and was included by using a LOAD command More details ...
LABEL=s2
CENTER=C
START=N1
END=N2
MAXR=0.6
SIGMA=0.05,0.125
UP_DOWN_SYMMETRY
... PAIR_ORIENTATIONAL_ENTROPY
MANY_ANGLE_PLUSThis action is not part of PLUMED and was included by using a LOAD command More details ...
LABEL=ma1
CENTER=C
START=Ncenter
END=O
RCUT=1.0
NOPBC
MEAN
MOMENT2
... MANY_ANGLE_PLUS
MANY_ANGLE_PLUSThis action is not part of PLUMED and was included by using a LOAD command More details ...
LABEL=ma2
CENTER=C
START=N1
END=N2
RCUT=1.0
NOPBC
MEAN
MOMENT2
... MANY_ANGLE_PLUS
COORDINATIONNUMBERCalculate the coordination numbers of atoms so that you can then calculate functions of the distribution of More details ...
LABELa label for the action so that its output can be referenced in the input to other actions=cn SPECIESthe list of atoms for which the symmetry function is being calculated and the atoms that can be in the environments=Ncenter
SWITCHthe switching function that it used in the construction of the contact matrix. Options for this keyword are explained in the documentation for LESS_THAN.={RATIONAL R_0=0.6 D_MAX=0.8}
MORE_THAN1calculate the number of variables that are more than a certain target value. Options for this keyword are explained in the documentation for MORE_THAN.={RATIONAL R_0=8.0 D_MAX=9.0}
MORE_THAN2calculate the number of variables that are more than a certain target value. Options for this keyword are explained in the documentation for MORE_THAN.={RATIONAL R_0=11.0 D_MAX=12.0}
MOMENTSthe list of moments that you would like to calculate=2
LOWMEM this flag does nothing and is present only to ensure back-compatibility
... COORDINATIONNUMBER
The COORDINATIONNUMBER action with label cn calculates the following quantities: Quantity | Description |
cn.moment | the moments of the distribution |
cn.value | the coordination numbers of the specified atoms |
METADUsed to performed metadynamics on one or more collective variables. More details ...
LABELa label for the action so that its output can be referenced in the input to other actions=metad
ARGthe labels of the scalars on which the bias will act=s1,s2
PACEthe frequency for hill addition=500
HEIGHTthe heights of the Gaussian hills=5.0
SIGMAthe widths of the Gaussian hills=0.2,0.2
FILE a file in which the list of added hills is stored=HILLS
BIASFACTORuse well tempered metadynamics and use this bias factor=100.0
TEMPthe system temperature - this is only needed if you are doing well-tempered metadynamics=300.0
GRID_MINthe lower bounds for the grid=-15.0,-15.0
GRID_MAXthe upper bounds for the grid=0.0,0.0
GRID_BINthe number of bins for the grid=600,600
CALC_RCT calculate the c(t) reweighting factor and use that to obtain the normalized bias [rbias=bias-rct]
... METAD
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) |
PRINTPrint quantities to a file. More details STRIDE the frequency with which the quantities of interest should be output=500 ARGthe labels of the values that you would like to print to the file=* FILEthe name of the file on which to output these quantities=COLVAR