Project ID: plumID:21.023
Source: Data-ala1/ala1-vacuum-pt/plumed.dat
Originally used with PLUMED version: 2.7
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
tested onv2.10
tested onmaster
energy:   ENERGYCalculate the total potential energy of the simulation box. More details
phi:      TORSIONCalculate a torsional angle. More details ATOMSthe four atoms involved in the torsional angle=5,7,9,15    NOPBC ignore the periodic boundary conditions when calculating distances
psi:      TORSIONCalculate a torsional angle. More details ATOMSthe four atoms involved in the torsional angle=7,9,15,17   NOPBC ignore the periodic boundary conditions when calculating distances
theta:    TORSIONCalculate a torsional angle. More details ATOMSthe four atoms involved in the torsional angle=6,5,7,9     NOPBC ignore the periodic boundary conditions when calculating distances
d1:       DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=2,5        NOPBC ignore the periodic boundary conditions when calculating distances
d2:       DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=2,6        NOPBC ignore the periodic boundary conditions when calculating distances
d3:       DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=2,7        NOPBC ignore the periodic boundary conditions when calculating distances
d4:       DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=2,9        NOPBC ignore the periodic boundary conditions when calculating distances
d5:       DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=2,11       NOPBC ignore the periodic boundary conditions when calculating distances
d6:       DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=2,15       NOPBC ignore the periodic boundary conditions when calculating distances
d7:       DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=2,16       NOPBC ignore the periodic boundary conditions when calculating distances
d8:       DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=2,17       NOPBC ignore the periodic boundary conditions when calculating distances
d9:       DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=2,19       NOPBC ignore the periodic boundary conditions when calculating distances
d10:      DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=5,6        NOPBC ignore the periodic boundary conditions when calculating distances
d11:      DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=5,7        NOPBC ignore the periodic boundary conditions when calculating distances
d12:      DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=5,9        NOPBC ignore the periodic boundary conditions when calculating distances
d13:      DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=5,11       NOPBC ignore the periodic boundary conditions when calculating distances
d14:      DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=5,15       NOPBC ignore the periodic boundary conditions when calculating distances
d15:      DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=5,16       NOPBC ignore the periodic boundary conditions when calculating distances
d16:      DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=5,17       NOPBC ignore the periodic boundary conditions when calculating distances
d17:      DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=5,19       NOPBC ignore the periodic boundary conditions when calculating distances
d18:      DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=6,7        NOPBC ignore the periodic boundary conditions when calculating distances
d19:      DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=6,9        NOPBC ignore the periodic boundary conditions when calculating distances
d20:      DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=6,11       NOPBC ignore the periodic boundary conditions when calculating distances
d21:      DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=6,15       NOPBC ignore the periodic boundary conditions when calculating distances
d22:      DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=6,16       NOPBC ignore the periodic boundary conditions when calculating distances
d23:      DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=6,17       NOPBC ignore the periodic boundary conditions when calculating distances
d24:      DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=6,19       NOPBC ignore the periodic boundary conditions when calculating distances
d25:      DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=7,9        NOPBC ignore the periodic boundary conditions when calculating distances
d26:      DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=7,11       NOPBC ignore the periodic boundary conditions when calculating distances
d27:      DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=7,15       NOPBC ignore the periodic boundary conditions when calculating distances
d28:      DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=7,16       NOPBC ignore the periodic boundary conditions when calculating distances
d29:      DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=7,17       NOPBC ignore the periodic boundary conditions when calculating distances
d30:      DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=7,19       NOPBC ignore the periodic boundary conditions when calculating distances
d31:      DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=9,11       NOPBC ignore the periodic boundary conditions when calculating distances
d32:      DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=9,15       NOPBC ignore the periodic boundary conditions when calculating distances
d33:      DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=9,16       NOPBC ignore the periodic boundary conditions when calculating distances
d34:      DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=9,17       NOPBC ignore the periodic boundary conditions when calculating distances
d35:      DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=9,19       NOPBC ignore the periodic boundary conditions when calculating distances
d36:      DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=11,15      NOPBC ignore the periodic boundary conditions when calculating distances
d37:      DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=11,16      NOPBC ignore the periodic boundary conditions when calculating distances
d38:      DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=11,17      NOPBC ignore the periodic boundary conditions when calculating distances
d39:      DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=11,19      NOPBC ignore the periodic boundary conditions when calculating distances
d40:      DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=15,16      NOPBC ignore the periodic boundary conditions when calculating distances
d41:      DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=15,17      NOPBC ignore the periodic boundary conditions when calculating distances
d42:      DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=15,19      NOPBC ignore the periodic boundary conditions when calculating distances
d43:      DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=16,17      NOPBC ignore the periodic boundary conditions when calculating distances
d44:      DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=16,19      NOPBC ignore the periodic boundary conditions when calculating distances
d45:      DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=17,19      NOPBC ignore the periodic boundary conditions when calculating distances

PRINTPrint quantities to a file. More details ... ARGthe labels of the values that you would like to print to the file=* STRIDE the frequency with which the quantities of interest should be output=500 FILEthe name of the file on which to output these quantities=colvar.data ... PRINT