Project ID: plumID:25.007
Source: plumed_M5G0+MII_steer_conformer.dat
Originally used with PLUMED version: 2.8
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
phi1_2The TORSION action with label phi1_2 calculates the following quantities:| Quantity | Type | Description |
| phi1_2 | scalar | the TORSION involving these atoms |
: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=16217,16215,16214,16204
psi1_2The TORSION action with label psi1_2 calculates the following quantities:| Quantity | Type | Description |
| psi1_2 | scalar | the TORSION involving these atoms |
: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=16215,16214,16204,16200
phi2_3The TORSION action with label phi2_3 calculates the following quantities:| Quantity | Type | Description |
| phi2_3 | scalar | the TORSION involving these atoms |
: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=16251,16235,16223,16220
psi2_3The TORSION action with label psi2_3 calculates the following quantities:| Quantity | Type | Description |
| psi2_3 | scalar | the TORSION involving these atoms |
: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=16235,16223,16220,16218
omega2_3The TORSION action with label omega2_3 calculates the following quantities:| Quantity | Type | Description |
| omega2_3 | scalar | the TORSION involving these atoms |
: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=16223,16220,16218,16224
phi3_4The TORSION action with label phi3_4 calculates the following quantities:| Quantity | Type | Description |
| phi3_4 | scalar | the TORSION involving these atoms |
: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=16270,16255,16254,16241
psi3_4The TORSION action with label psi3_4 calculates the following quantities:| Quantity | Type | Description |
| psi3_4 | scalar | the TORSION involving these atoms |
: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=16255,16254,16241,16237
phi3_5The TORSION action with label phi3_5 calculates the following quantities:| Quantity | Type | Description |
| phi3_5 | scalar | the TORSION involving these atoms |
: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=16292,16277,16250,16247
psi3_5The TORSION action with label psi3_5 calculates the following quantities:| Quantity | Type | Description |
| psi3_5 | scalar | the TORSION involving these atoms |
: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=16277,16250,16247,16245
omega3_5The TORSION action with label omega3_5 calculates the following quantities:| Quantity | Type | Description |
| omega3_5 | scalar | the TORSION involving these atoms |
: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=16250,16247,16245,16243
phi2_6The TORSION action with label phi2_6 calculates the following quantities:| Quantity | Type | Description |
| phi2_6 | scalar | the TORSION involving these atoms |
: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=16314,16299,16234,16228
psi2_6The TORSION action with label psi2_6 calculates the following quantities:| Quantity | Type | Description |
| psi2_6 | scalar | the TORSION involving these atoms |
: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=16299,16234,16228,16230
phi6_7The TORSION action with label phi6_7 calculates the following quantities:| Quantity | Type | Description |
| phi6_7 | scalar | the TORSION involving these atoms |
: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=16322,16320,16319,16301
psi6_7The TORSION action with label psi6_7 calculates the following quantities:| Quantity | Type | Description |
| psi6_7 | scalar | the TORSION involving these atoms |
: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=16320,16319,16301,16299
puck1The PUCKERING action with label puck1 calculates the following quantities:| Quantity | Type | Description |
| puck1.qx | scalar | Cartesian component x (6 membered rings) |
| puck1.qy | scalar | Cartesian component y (6 membered rings) |
| puck1.qz | scalar | Cartesian component z (6 membered rings) |
| puck1.phi | scalar | Pseudorotation phase (6 membered rings) |
| puck1.theta | scalar | Theta angle (6 membered rings) |
| puck1.amplitude | scalar | Pseudorotation amplitude (6 membered rings) |
: PUCKERINGCalculate sugar pseudorotation coordinates. More details ATOMSthe five or six atoms of the sugar ring in the proper order=16213,16188,16190,16200,16204,16206
puck2The PUCKERING action with label puck2 calculates the following quantities:| Quantity | Type | Description |
| puck2.qx | scalar | Cartesian component x (6 membered rings) |
| puck2.qy | scalar | Cartesian component y (6 membered rings) |
| puck2.qz | scalar | Cartesian component z (6 membered rings) |
| puck2.phi | scalar | Pseudorotation phase (6 membered rings) |
| puck2.theta | scalar | Theta angle (6 membered rings) |
| puck2.amplitude | scalar | Pseudorotation amplitude (6 membered rings) |
: PUCKERINGCalculate sugar pseudorotation coordinates. More details ATOMSthe five or six atoms of the sugar ring in the proper order=16217,16215,16230,16228,16224,16218
puck3The PUCKERING action with label puck3 calculates the following quantities:| Quantity | Type | Description |
| puck3.qx | scalar | Cartesian component x (6 membered rings) |
| puck3.qy | scalar | Cartesian component y (6 membered rings) |
| puck3.qz | scalar | Cartesian component z (6 membered rings) |
| puck3.phi | scalar | Pseudorotation phase (6 membered rings) |
| puck3.theta | scalar | Theta angle (6 membered rings) |
| puck3.amplitude | scalar | Pseudorotation amplitude (6 membered rings) |
: PUCKERINGCalculate sugar pseudorotation coordinates. More details ATOMSthe five or six atoms of the sugar ring in the proper order=16251,16235,16237,16241,16243,16245
puck4The PUCKERING action with label puck4 calculates the following quantities:| Quantity | Type | Description |
| puck4.qx | scalar | Cartesian component x (6 membered rings) |
| puck4.qy | scalar | Cartesian component y (6 membered rings) |
| puck4.qz | scalar | Cartesian component z (6 membered rings) |
| puck4.phi | scalar | Pseudorotation phase (6 membered rings) |
| puck4.theta | scalar | Theta angle (6 membered rings) |
| puck4.amplitude | scalar | Pseudorotation amplitude (6 membered rings) |
: PUCKERINGCalculate sugar pseudorotation coordinates. More details ATOMSthe five or six atoms of the sugar ring in the proper order=16270,16255,16257,16259,16261,16263
puck5The PUCKERING action with label puck5 calculates the following quantities:| Quantity | Type | Description |
| puck5.qx | scalar | Cartesian component x (6 membered rings) |
| puck5.qy | scalar | Cartesian component y (6 membered rings) |
| puck5.qz | scalar | Cartesian component z (6 membered rings) |
| puck5.phi | scalar | Pseudorotation phase (6 membered rings) |
| puck5.theta | scalar | Theta angle (6 membered rings) |
| puck5.amplitude | scalar | Pseudorotation amplitude (6 membered rings) |
: PUCKERINGCalculate sugar pseudorotation coordinates. More details ATOMSthe five or six atoms of the sugar ring in the proper order=16292,16277,16279,16281,16283,16285
puck6The PUCKERING action with label puck6 calculates the following quantities:| Quantity | Type | Description |
| puck6.qx | scalar | Cartesian component x (6 membered rings) |
| puck6.qy | scalar | Cartesian component y (6 membered rings) |
| puck6.qz | scalar | Cartesian component z (6 membered rings) |
| puck6.phi | scalar | Pseudorotation phase (6 membered rings) |
| puck6.theta | scalar | Theta angle (6 membered rings) |
| puck6.amplitude | scalar | Pseudorotation amplitude (6 membered rings) |
: PUCKERINGCalculate sugar pseudorotation coordinates. More details ATOMSthe five or six atoms of the sugar ring in the proper order=16314,16299,16301,16303,16305,16307
puck7The PUCKERING action with label puck7 calculates the following quantities:| Quantity | Type | Description |
| puck7.qx | scalar | Cartesian component x (6 membered rings) |
| puck7.qy | scalar | Cartesian component y (6 membered rings) |
| puck7.qz | scalar | Cartesian component z (6 membered rings) |
| puck7.phi | scalar | Pseudorotation phase (6 membered rings) |
| puck7.theta | scalar | Theta angle (6 membered rings) |
| puck7.amplitude | scalar | Pseudorotation amplitude (6 membered rings) |
: PUCKERINGCalculate sugar pseudorotation coordinates. More details ATOMSthe five or six atoms of the sugar ring in the proper order=16322,16320,16338,16334,16330,16323
PRINTPrint quantities to a file. More details ARGthe labels of the values that you would like to print to the file=phi1_2,psi1_2,phi2_3,psi2_3,omega2_3,phi3_4,psi3_4,phi3_5,psi3_5,omega3_5,phi2_6,psi2_6,phi6_7,psi6_7 STRIDE the frequency with which the quantities of interest should be output=5000 FILEthe name of the file on which to output these quantities=COLVAR
The PRINT action with label calculates somethingPRINTPrint quantities to a file. More details ARGthe labels of the values that you would like to print to the file=puck1.theta,puck2.theta,puck3.theta,puck4.theta,puck5.theta,puck6.theta,puck7.theta,puck1.phi,puck2.phi,puck3.phi,puck4.phi,puck5.phi,puck6.phi,puck7.phi STRIDE the frequency with which the quantities of interest should be output=5000 FILEthe name of the file on which to output these quantities=COLVAR_theta
Tyr269-HOC2The DISTANCE action with label Tyr269-HOC2 calculates the following quantities:| Quantity | Type | Description |
| Tyr269-HOC2 | scalar | the DISTANCE between this pair of atoms |
: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=3939,16297
Asp92O1-HOC3The DISTANCE action with label Asp92O1-HOC3 calculates the following quantities:| Quantity | Type | Description |
| Asp92O1-HOC3 | scalar | the DISTANCE between this pair of atoms |
: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=1006,16296
Asp92O2-HOC2The DISTANCE action with label Asp92O2-HOC2 calculates the following quantities:| Quantity | Type | Description |
| Asp92O2-HOC2 | scalar | the DISTANCE between this pair of atoms |
: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=1007,16298
His471-OC3The DISTANCE action with label His471-OC3 calculates the following quantities:| Quantity | Type | Description |
| His471-OC3 | scalar | the DISTANCE between this pair of atoms |
: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=7215,16295
Asp472-HOC4The DISTANCE action with label Asp472-HOC4 calculates the following quantities:| Quantity | Type | Description |
| Asp472-HOC4 | scalar | the DISTANCE between this pair of atoms |
: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=7228,16294
Asp472-HOC3The DISTANCE action with label Asp472-HOC3 calculates the following quantities:| Quantity | Type | Description |
| Asp472-HOC3 | scalar | the DISTANCE between this pair of atoms |
: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=7229,16296
Tyr727-OC4The DISTANCE action with label Tyr727-OC4 calculates the following quantities:| Quantity | Type | Description |
| Tyr727-OC4 | scalar | the DISTANCE between this pair of atoms |
: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=11250,16293
Arg876-HOC6The DISTANCE action with label Arg876-HOC6 calculates the following quantities:| Quantity | Type | Description |
| Arg876-HOC6 | scalar | the DISTANCE between this pair of atoms |
: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=13561,16291
Arg228H1-O5The DISTANCE action with label Arg228H1-O5 calculates the following quantities:| Quantity | Type | Description |
| Arg228H1-O5 | scalar | the DISTANCE between this pair of atoms |
: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=3237,16292
Arg228H2-O5The DISTANCE action with label Arg228H2-O5 calculates the following quantities:| Quantity | Type | Description |
| Arg228H2-O5 | scalar | the DISTANCE between this pair of atoms |
: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=3238,16292
Asp341-OThe DISTANCE action with label Asp341-O calculates the following quantities:| Quantity | Type | Description |
| Asp341-O | scalar | the DISTANCE between this pair of atoms |
: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=5077,16250
Asp204O1-HOC2The DISTANCE action with label Asp204O1-HOC2 calculates the following quantities:| Quantity | Type | Description |
| Asp204O1-HOC2 | scalar | the DISTANCE between this pair of atoms |
: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=2841,16298
ZN-GOHC2The DISTANCE action with label ZN-GOHC2 calculates the following quantities:| Quantity | Type | Description |
| ZN-GOHC2 | scalar | the DISTANCE between this pair of atoms |
: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=16348,16297
ZN-GOHC3The DISTANCE action with label ZN-GOHC3 calculates the following quantities:| Quantity | Type | Description |
| ZN-GOHC3 | scalar | the DISTANCE between this pair of atoms |
: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=16348,16295
ZN-Asp204The DISTANCE action with label ZN-Asp204 calculates the following quantities:| Quantity | Type | Description |
| ZN-Asp204 | scalar | the DISTANCE between this pair of atoms |
: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=16348,2841
ZN-His90The DISTANCE action with label ZN-His90 calculates the following quantities:| Quantity | Type | Description |
| ZN-His90 | scalar | the DISTANCE between this pair of atoms |
: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=16348,979
ZN-Asp92The DISTANCE action with label ZN-Asp92 calculates the following quantities:| Quantity | Type | Description |
| ZN-Asp92 | scalar | the DISTANCE between this pair of atoms |
: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=16348,1006
ZN-His471The DISTANCE action with label ZN-His471 calculates the following quantities:| Quantity | Type | Description |
| ZN-His471 | scalar | the DISTANCE between this pair of atoms |
: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=16348,7215
restraintThe MOVINGRESTRAINT action with label restraint calculates the following quantities:| Quantity | Type | Description |
| restraint.bias | scalar | the instantaneous value of the bias potential |
| restraint.force2 | scalar | the instantaneous value of the squared force due to this bias potential |
| restraint.phi2_3_cntr | scalar | one or multiple instances of this quantity can be referenced elsewhere in the input file. these quantities will named with the arguments of the bias followed by the character string _cntr. These quantities give the instantaneous position of the center of the harmonic potential. This particular component measures this quantity for the input CV named phi2_3 |
| restraint.phi2_3_work | scalar | one or multiple instances of this quantity can be referenced elsewhere in the input file. These quantities will named with the arguments of the bias followed by the character string _work. These quantities tell the user how much work has been done by the potential in dragging the system along the various colvar axis. This particular component measures this quantity for the input CV named phi2_3 |
| restraint.phi2_3_kappa | scalar | one or multiple instances of this quantity can be referenced elsewhere in the input file. These quantities will named with the arguments of the bias followed by the character string _kappa. These quantities tell the user the time dependent value of kappa. This particular component measures this quantity for the input CV named phi2_3 |
| restraint.psi2_3_cntr | scalar | one or multiple instances of this quantity can be referenced elsewhere in the input file. these quantities will named with the arguments of the bias followed by the character string _cntr. These quantities give the instantaneous position of the center of the harmonic potential. This particular component measures this quantity for the input CV named psi2_3 |
| restraint.psi2_3_work | scalar | one or multiple instances of this quantity can be referenced elsewhere in the input file. These quantities will named with the arguments of the bias followed by the character string _work. These quantities tell the user how much work has been done by the potential in dragging the system along the various colvar axis. This particular component measures this quantity for the input CV named psi2_3 |
| restraint.psi2_3_kappa | scalar | one or multiple instances of this quantity can be referenced elsewhere in the input file. These quantities will named with the arguments of the bias followed by the character string _kappa. These quantities tell the user the time dependent value of kappa. This particular component measures this quantity for the input CV named psi2_3 |
| restraint.omega2_3_cntr | scalar | one or multiple instances of this quantity can be referenced elsewhere in the input file. these quantities will named with the arguments of the bias followed by the character string _cntr. These quantities give the instantaneous position of the center of the harmonic potential. This particular component measures this quantity for the input CV named omega2_3 |
| restraint.omega2_3_work | scalar | one or multiple instances of this quantity can be referenced elsewhere in the input file. These quantities will named with the arguments of the bias followed by the character string _work. These quantities tell the user how much work has been done by the potential in dragging the system along the various colvar axis. This particular component measures this quantity for the input CV named omega2_3 |
| restraint.omega2_3_kappa | scalar | one or multiple instances of this quantity can be referenced elsewhere in the input file. These quantities will named with the arguments of the bias followed by the character string _kappa. These quantities tell the user the time dependent value of kappa. This particular component measures this quantity for the input CV named omega2_3 |
| restraint.psi3_5_cntr | scalar | one or multiple instances of this quantity can be referenced elsewhere in the input file. these quantities will named with the arguments of the bias followed by the character string _cntr. These quantities give the instantaneous position of the center of the harmonic potential. This particular component measures this quantity for the input CV named psi3_5 |
| restraint.psi3_5_work | scalar | one or multiple instances of this quantity can be referenced elsewhere in the input file. These quantities will named with the arguments of the bias followed by the character string _work. These quantities tell the user how much work has been done by the potential in dragging the system along the various colvar axis. This particular component measures this quantity for the input CV named psi3_5 |
| restraint.psi3_5_kappa | scalar | one or multiple instances of this quantity can be referenced elsewhere in the input file. These quantities will named with the arguments of the bias followed by the character string _kappa. These quantities tell the user the time dependent value of kappa. This particular component measures this quantity for the input CV named psi3_5 |
| restraint.omega3_5_cntr | scalar | one or multiple instances of this quantity can be referenced elsewhere in the input file. these quantities will named with the arguments of the bias followed by the character string _cntr. These quantities give the instantaneous position of the center of the harmonic potential. This particular component measures this quantity for the input CV named omega3_5 |
| restraint.omega3_5_work | scalar | one or multiple instances of this quantity can be referenced elsewhere in the input file. These quantities will named with the arguments of the bias followed by the character string _work. These quantities tell the user how much work has been done by the potential in dragging the system along the various colvar axis. This particular component measures this quantity for the input CV named omega3_5 |
| restraint.omega3_5_kappa | scalar | one or multiple instances of this quantity can be referenced elsewhere in the input file. These quantities will named with the arguments of the bias followed by the character string _kappa. These quantities tell the user the time dependent value of kappa. This particular component measures this quantity for the input CV named omega3_5 |
| restraint.work | scalar | the total work performed changing this restraint |
: ...
MOVINGRESTRAINTAdd a time-dependent, harmonic restraint on one or more variables. This action has hidden defaults. More details
ARGthe labels of the scalars on which the bias will act=phi2_3,psi2_3,omega2_3,psi3_5,omega3_5
AT0ATx is equal to the position of the restraint at time STEPx=1.0,3.0,3.0,1.0,1.0 STEP0This keyword appears multiple times as STEPx with x=0,1,2,=0 KAPPA0KAPPAx is equal to the value of the force constants at time STEPx=500,500,500,500,500
AT1ATx is equal to the position of the restraint at time STEPx=1.0,3.0,3.0,1.0,1.0 STEP1This keyword appears multiple times as STEPx with x=0,1,2,=250000 KAPPA1KAPPAx is equal to the value of the force constants at time STEPx=500,500,500,500,500
AT2ATx is equal to the position of the restraint at time STEPx=3.0,-2.0,1.0,3.0,-1.0 STEP2This keyword appears multiple times as STEPx with x=0,1,2,=500000 KAPPA2KAPPAx is equal to the value of the force constants at time STEPx=500,500,500,500,500
AT3ATx is equal to the position of the restraint at time STEPx=3.0,-2.0,1.0,3.0,-1.0 STEP3This keyword appears multiple times as STEPx with x=0,1,2,=1000000 KAPPA3KAPPAx is equal to the value of the force constants at time STEPx=500,500,500,500,500
AT4ATx is equal to the position of the restraint at time STEPx=1.0,3.0,3.0,1.0,1.0 STEP4This keyword appears multiple times as STEPx with x=0,1,2,=1250000 KAPPA4KAPPAx is equal to the value of the force constants at time STEPx=500,500,500,500,500
AT5ATx is equal to the position of the restraint at time STEPx=1.0,3.0,3.0,1.0,1.0 STEP5This keyword appears multiple times as STEPx with x=0,1,2,=1750000 KAPPA5KAPPAx is equal to the value of the force constants at time STEPx=500,500,500,500,500
AT6ATx is equal to the position of the restraint at time STEPx=3.0,-2.0,1.0,3.0,-1.0 STEP6This keyword appears multiple times as STEPx with x=0,1,2,=2000000 KAPPA6KAPPAx is equal to the value of the force constants at time STEPx=500,500,500,500,500
AT7ATx is equal to the position of the restraint at time STEPx=3.0,-2.0,1.0,3.0,-1.0 STEP7This keyword appears multiple times as STEPx with x=0,1,2,=2500000 KAPPA7KAPPAx is equal to the value of the force constants at time STEPx=500,500,500,500,500
AT8ATx is equal to the position of the restraint at time STEPx=1.0,3.0,3.0,1.0,1.0 STEP8This keyword appears multiple times as STEPx with x=0,1,2,=2750000 KAPPA8KAPPAx is equal to the value of the force constants at time STEPx=500,500,500,500,500
AT9ATx is equal to the position of the restraint at time STEPx=1.0,3.0,3.0,1.0,1.0 STEP9This keyword appears multiple times as STEPx with x=0,1,2,=3000000 KAPPA9KAPPAx is equal to the value of the force constants at time STEPx=500,500,500,500,500
...
restraint: ...
MOVINGRESTRAINTAdd a time-dependent, harmonic restraint on one or more variables. This action uses the defaults shown here. More details
ARGthe labels of the scalars on which the bias will act=phi2_3,psi2_3,omega2_3,psi3_5,omega3_5
AT0ATx is equal to the position of the restraint at time STEPx=1.0,3.0,3.0,1.0,1.0 STEP0This keyword appears multiple times as STEPx with x=0,1,2,=0 KAPPA0KAPPAx is equal to the value of the force constants at time STEPx=500,500,500,500,500
AT1ATx is equal to the position of the restraint at time STEPx=1.0,3.0,3.0,1.0,1.0 STEP1This keyword appears multiple times as STEPx with x=0,1,2,=250000 KAPPA1KAPPAx is equal to the value of the force constants at time STEPx=500,500,500,500,500
AT2ATx is equal to the position of the restraint at time STEPx=3.0,-2.0,1.0,3.0,-1.0 STEP2This keyword appears multiple times as STEPx with x=0,1,2,=500000 KAPPA2KAPPAx is equal to the value of the force constants at time STEPx=500,500,500,500,500
AT3ATx is equal to the position of the restraint at time STEPx=3.0,-2.0,1.0,3.0,-1.0 STEP3This keyword appears multiple times as STEPx with x=0,1,2,=1000000 KAPPA3KAPPAx is equal to the value of the force constants at time STEPx=500,500,500,500,500
AT4ATx is equal to the position of the restraint at time STEPx=1.0,3.0,3.0,1.0,1.0 STEP4This keyword appears multiple times as STEPx with x=0,1,2,=1250000 KAPPA4KAPPAx is equal to the value of the force constants at time STEPx=500,500,500,500,500
AT5ATx is equal to the position of the restraint at time STEPx=1.0,3.0,3.0,1.0,1.0 STEP5This keyword appears multiple times as STEPx with x=0,1,2,=1750000 KAPPA5KAPPAx is equal to the value of the force constants at time STEPx=500,500,500,500,500
AT6ATx is equal to the position of the restraint at time STEPx=3.0,-2.0,1.0,3.0,-1.0 STEP6This keyword appears multiple times as STEPx with x=0,1,2,=2000000 KAPPA6KAPPAx is equal to the value of the force constants at time STEPx=500,500,500,500,500
AT7ATx is equal to the position of the restraint at time STEPx=3.0,-2.0,1.0,3.0,-1.0 STEP7This keyword appears multiple times as STEPx with x=0,1,2,=2500000 KAPPA7KAPPAx is equal to the value of the force constants at time STEPx=500,500,500,500,500
AT8ATx is equal to the position of the restraint at time STEPx=1.0,3.0,3.0,1.0,1.0 STEP8This keyword appears multiple times as STEPx with x=0,1,2,=2750000 KAPPA8KAPPAx is equal to the value of the force constants at time STEPx=500,500,500,500,500
AT9ATx is equal to the position of the restraint at time STEPx=1.0,3.0,3.0,1.0,1.0 STEP9This keyword appears multiple times as STEPx with x=0,1,2,=3000000 KAPPA9KAPPAx is equal to the value of the force constants at time STEPx=500,500,500,500,500
VERSE Tells plumed whether the restraint is only acting for CV larger (U) or smaller (L) than the restraint or whether it is acting on both sides (B)=B,B,B,B,B
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PRINTPrint quantities to a file. More details ARGthe labels of the values that you would like to print to the file=Tyr269-HOC2,Asp92O1-HOC3,Asp92O2-HOC2,His471-OC3,Asp472-HOC4,Asp472-HOC3,Tyr727-OC4,Arg876-HOC6,Arg228H1-O5,Arg228H2-O5,Asp341-O,Asp204O1-HOC2,ZN-GOHC2,ZN-GOHC3,ZN-Asp204,ZN-His90,ZN-Asp92,ZN-His471,restraint.* FILEthe name of the file on which to output these quantities=COLVAR_coordination STRIDE the frequency with which the quantities of interest should be output=5000
