Project ID: plumID:23.028
Source: DeepMD_simulations/Unbiased/plumed.dat
Originally used with PLUMED version: 2.9
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
=A
The UNITS action with label calculates somethingH: =27,28,29,30,31,32,33,34,35,36,54,55,56,57,58,59,62,86,87,88,89,90,91,92,93,94,136,137,138,139,140,141,142,143,144,145,146,147,148,164,165,166,167,168,183,184,185,186,187,209,210,211,221,222,223,227,262,263,264,265,266,267,268,269,270,271,272,273,274,275,276,343,344,345,346,347,348,349,350,351,352,353,354,355,356,357,358,359,360,361,377,378,379,380,381,384,386,387,388,390,391,392
The GROUP action with label H calculates somethingN: =17,18,19,20,21,22,23,24,25,26,48,49,50,51,52,53,61,77,78,79,80,81,82,83,84,85,123,124,125,126,127,128,129,130,131,132,133,134,135,159,160,161,162,163,178,179,180,181,182,206,207,208,218,219,220,226,247,248,249,250,251,252,253,254,255,256,257,258,259,260,261,324,325,326,327,328,329,330,331,332,333,334,335,336,337,338,339,340,341,342,372,373,374,375,376,383,385,389
The GROUP action with label N calculates somethingLi: =1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,37,38,39,40,41,42,43,44,45,46,47,60,63,64,65,66,67,68,69,70,71,72,73,74,75,76,95,96,97,98,99,100,101,102,103,104,105,106,107,108,109,110,111,112,113,114,115,116,117,118,119,120,121,122,149,150,151,152,153,154,155,156,157,158,169,170,171,172,173,174,175,176,177,188,189,190,191,192,193,194,195,196,197,198,199,200,201,202,203,204,205,212,213,214,215,216,217,224,225,228,229,230,231,232,233,234,235,236,237,238,239,240,241,242,243,244,245,246,277,278,279,280,281,282,283,284,285,286,287,288,289,290,291,292,293,294,295,296,297,298,299,300,301,302,303,304,305,306,307,308,309,310,311,312,313,314,315,316,317,318,319,320,321,322,323,362,363,364,365,366,367,368,369,370,371,382
The GROUP action with label Li calculates somethingghosta: =0,0,15
The FIXEDATOM action with label ghosta calculates somethingghosta: =0,0,15 =1 =0
ene:
The ENERGY action with label ene calculates somethingdis_GH: =ghosta =H ={BETA=0.5}
# dis_GH: ZDISTANCES GROUPA=ghosta GROUPB=H MAX={BETA=0.5}
The ZDISTANCES action with label dis_GH calculates the following quantities: Quantity | Description |
dis_GH.max | the maximum colvar |
dis_GH_vatom1: =ghosta,27
The CENTER action with label dis_GH_vatom1 calculates the following quantities: Quantity | Description |
dis_GH_vatom1.value | the position of the center of mass |
dis_GH_vatom2: =ghosta,28
The CENTER action with label dis_GH_vatom2 calculates the following quantities: Quantity | Description |
dis_GH_vatom2.value | the position of the center of mass |
dis_GH_vatom3: =ghosta,29
The CENTER action with label dis_GH_vatom3 calculates the following quantities: Quantity | Description |
dis_GH_vatom3.value | the position of the center of mass |
dis_GH_vatom4: =ghosta,30
The CENTER action with label dis_GH_vatom4 calculates the following quantities: Quantity | Description |
dis_GH_vatom4.value | the position of the center of mass |
dis_GH_vatom5: =ghosta,31
The CENTER action with label dis_GH_vatom5 calculates the following quantities: Quantity | Description |
dis_GH_vatom5.value | the position of the center of mass |
dis_GH_vatom6: =ghosta,32
The CENTER action with label dis_GH_vatom6 calculates the following quantities: Quantity | Description |
dis_GH_vatom6.value | the position of the center of mass |
dis_GH_grp: =dis_GH_vatom1,dis_GH_vatom2,dis_GH_vatom3,dis_GH_vatom4,dis_GH_vatom5,dis_GH_vatom6,dis_GH_vatom7,dis_GH_vatom8,dis_GH_vatom9,dis_GH_vatom10,dis_GH_vatom11,dis_GH_vatom12,dis_GH_vatom13,dis_GH_vatom14,dis_GH_vatom15,dis_GH_vatom16,dis_GH_vatom17,dis_GH_vatom18,dis_GH_vatom19,dis_GH_vatom20,dis_GH_vatom21,dis_GH_vatom22,dis_GH_vatom23,dis_GH_vatom24,dis_GH_vatom25,dis_GH_vatom26,dis_GH_vatom27,dis_GH_vatom28,dis_GH_vatom29,dis_GH_vatom30,dis_GH_vatom31,dis_GH_vatom32,dis_GH_vatom33,dis_GH_vatom34,dis_GH_vatom35,dis_GH_vatom36,dis_GH_vatom37,dis_GH_vatom38,dis_GH_vatom39,dis_GH_vatom40,dis_GH_vatom41,dis_GH_vatom42,dis_GH_vatom43,dis_GH_vatom44,dis_GH_vatom45,dis_GH_vatom46,dis_GH_vatom47,dis_GH_vatom48,dis_GH_vatom49,dis_GH_vatom50,dis_GH_vatom51,dis_GH_vatom52,dis_GH_vatom53,dis_GH_vatom54,dis_GH_vatom55,dis_GH_vatom56,dis_GH_vatom57,dis_GH_vatom58,dis_GH_vatom59,dis_GH_vatom60,dis_GH_vatom61,dis_GH_vatom62,dis_GH_vatom63,dis_GH_vatom64,dis_GH_vatom65,dis_GH_vatom66,dis_GH_vatom67,dis_GH_vatom68,dis_GH_vatom69,dis_GH_vatom70,dis_GH_vatom71,dis_GH_vatom72,dis_GH_vatom73,dis_GH_vatom74,dis_GH_vatom75,dis_GH_vatom76,dis_GH_vatom77,dis_GH_vatom78,dis_GH_vatom79,dis_GH_vatom80,dis_GH_vatom81,dis_GH_vatom82,dis_GH_vatom83,dis_GH_vatom84,dis_GH_vatom85,dis_GH_vatom86,dis_GH_vatom87,dis_GH_vatom88,dis_GH_vatom89,dis_GH_vatom90,dis_GH_vatom91,dis_GH_vatom92,dis_GH_vatom93,dis_GH_vatom94,dis_GH_vatom95,dis_GH_vatom96,dis_GH_vatom97,dis_GH_vatom98,dis_GH_vatom99,dis_GH_vatom100,dis_GH_vatom101,dis_GH_vatom102
The GROUP action with label dis_GH_grp calculates somethingdis_GH: =ghosta,27 =ghosta,28 =ghosta,29 =ghosta,30 =ghosta,31
dis_GH_me_max: =dis_GH.z =exp(x/0.5 =NO
The CUSTOM action with label dis_GH_me_max calculates the following quantities: Quantity | Description |
dis_GH_me_max.value | an arbitrary function |
dis_GH_mec_max: =dis_GH_me_max =NO
The SUM action with label dis_GH_mec_max calculates the following quantities: Quantity | Description |
dis_GH_mec_max.value | the sum |
dis_GH_max: =dis_GH_mec_max =0.5*log(x =NO
# --- End of included input --- The CUSTOM action with label dis_GH_max calculates the following quantities: Quantity | Description |
dis_GH_max.value | an arbitrary function |
uwall1: =dis_GH.max =12.0 =2000.0 =2
The UPPER_WALLS action with label uwall1 calculates the following quantities: Quantity | Description |
uwall1.bias | the instantaneous value of the bias potential |
uwall1.force2 | the instantaneous value of the squared force due to this bias potential |
dis_GN: =ghosta =N ={BETA=0.5}
# dis_GN: ZDISTANCES GROUPA=ghosta GROUPB=N MAX={BETA=0.5}
The ZDISTANCES action with label dis_GN calculates the following quantities: Quantity | Description |
dis_GN.max | the maximum colvar |
dis_GN_vatom1: =ghosta,17
The CENTER action with label dis_GN_vatom1 calculates the following quantities: Quantity | Description |
dis_GN_vatom1.value | the position of the center of mass |
dis_GN_vatom2: =ghosta,18
The CENTER action with label dis_GN_vatom2 calculates the following quantities: Quantity | Description |
dis_GN_vatom2.value | the position of the center of mass |
dis_GN_vatom3: =ghosta,19
The CENTER action with label dis_GN_vatom3 calculates the following quantities: Quantity | Description |
dis_GN_vatom3.value | the position of the center of mass |
dis_GN_vatom4: =ghosta,20
The CENTER action with label dis_GN_vatom4 calculates the following quantities: Quantity | Description |
dis_GN_vatom4.value | the position of the center of mass |
dis_GN_vatom5: =ghosta,21
The CENTER action with label dis_GN_vatom5 calculates the following quantities: Quantity | Description |
dis_GN_vatom5.value | the position of the center of mass |
dis_GN_vatom6: =ghosta,22
The CENTER action with label dis_GN_vatom6 calculates the following quantities: Quantity | Description |
dis_GN_vatom6.value | the position of the center of mass |
dis_GN_grp: =dis_GN_vatom1,dis_GN_vatom2,dis_GN_vatom3,dis_GN_vatom4,dis_GN_vatom5,dis_GN_vatom6,dis_GN_vatom7,dis_GN_vatom8,dis_GN_vatom9,dis_GN_vatom10,dis_GN_vatom11,dis_GN_vatom12,dis_GN_vatom13,dis_GN_vatom14,dis_GN_vatom15,dis_GN_vatom16,dis_GN_vatom17,dis_GN_vatom18,dis_GN_vatom19,dis_GN_vatom20,dis_GN_vatom21,dis_GN_vatom22,dis_GN_vatom23,dis_GN_vatom24,dis_GN_vatom25,dis_GN_vatom26,dis_GN_vatom27,dis_GN_vatom28,dis_GN_vatom29,dis_GN_vatom30,dis_GN_vatom31,dis_GN_vatom32,dis_GN_vatom33,dis_GN_vatom34,dis_GN_vatom35,dis_GN_vatom36,dis_GN_vatom37,dis_GN_vatom38,dis_GN_vatom39,dis_GN_vatom40,dis_GN_vatom41,dis_GN_vatom42,dis_GN_vatom43,dis_GN_vatom44,dis_GN_vatom45,dis_GN_vatom46,dis_GN_vatom47,dis_GN_vatom48,dis_GN_vatom49,dis_GN_vatom50,dis_GN_vatom51,dis_GN_vatom52,dis_GN_vatom53,dis_GN_vatom54,dis_GN_vatom55,dis_GN_vatom56,dis_GN_vatom57,dis_GN_vatom58,dis_GN_vatom59,dis_GN_vatom60,dis_GN_vatom61,dis_GN_vatom62,dis_GN_vatom63,dis_GN_vatom64,dis_GN_vatom65,dis_GN_vatom66,dis_GN_vatom67,dis_GN_vatom68,dis_GN_vatom69,dis_GN_vatom70,dis_GN_vatom71,dis_GN_vatom72,dis_GN_vatom73,dis_GN_vatom74,dis_GN_vatom75,dis_GN_vatom76,dis_GN_vatom77,dis_GN_vatom78,dis_GN_vatom79,dis_GN_vatom80,dis_GN_vatom81,dis_GN_vatom82,dis_GN_vatom83,dis_GN_vatom84,dis_GN_vatom85,dis_GN_vatom86,dis_GN_vatom87,dis_GN_vatom88,dis_GN_vatom89,dis_GN_vatom90,dis_GN_vatom91,dis_GN_vatom92,dis_GN_vatom93,dis_GN_vatom94,dis_GN_vatom95,dis_GN_vatom96,dis_GN_vatom97,dis_GN_vatom98
The GROUP action with label dis_GN_grp calculates somethingdis_GN: =ghosta,17 =ghosta,18 =ghosta,19 =ghosta,20 =ghosta,21
dis_GN_me_max: =dis_GN.z =exp(x/0.5 =NO
The CUSTOM action with label dis_GN_me_max calculates the following quantities: Quantity | Description |
dis_GN_me_max.value | an arbitrary function |
dis_GN_mec_max: =dis_GN_me_max =NO
The SUM action with label dis_GN_mec_max calculates the following quantities: Quantity | Description |
dis_GN_mec_max.value | the sum |
dis_GN_max: =dis_GN_mec_max =0.5*log(x =NO
# --- End of included input --- The CUSTOM action with label dis_GN_max calculates the following quantities: Quantity | Description |
dis_GN_max.value | an arbitrary function |
uwall2: =dis_GN.max =12.0 =2000.0 =2
The UPPER_WALLS action with label uwall2 calculates the following quantities: Quantity | Description |
uwall2.bias | the instantaneous value of the bias potential |
uwall2.force2 | the instantaneous value of the squared force due to this bias potential |
=colvar =1000
=4000