DUMPMULTICOLVAR
 This is part of the multicolvar module

Dump atom positions and multicolvar on a file.

Examples

In this examples we calculate the distances between the atoms of the first and the second group and we write them in the file MULTICOLVAR.xyz. For each couple it writes the coordinates of their geometric center and their distance.

Click on the labels of the actions for more information on what each action computes
pos: GROUP ATOMSthe numerical indexes for the set of atoms in the group. =220,221,235,236,247,248,438,439,450,451,534,535
neg: GROUP ATOMSthe numerical indexes for the set of atoms in the group. =65,68,138,182,185,267,270,291,313,316,489,583,621,711
slt: DISTANCES GROUPACalculate the distances between all the atoms in GROUPA and all the atoms in GROUPB.
=pos GROUPBCalculate the distances between all the atoms in GROUPA and all the atoms in GROUPB.
=neg
DUMPMULTICOLVAR DATAcompulsory keyword
certain actions in plumed work by calculating a list of variables and summing over
them. =slt FILEcompulsory keyword
file on which to output coordinates =MULTICOLVAR.xyz