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
energyENERGYCalculate 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