[gmx-users] Units of k1 in the pulling code

XUEMING TANG yujan2007 at gmail.com
Wed Aug 11 22:08:52 CEST 2010

Hi there

The units for pull_k1 = $$ kJ/mol/nm. If this force is applied to a cluster,
the "/mol" in the units of force means per atom in the cluster, or single
molecule composed of several atoms? Sorry, I don't know the default value of
mol in gromacs. Does that mean per molecule? Besides, the force is applied
to the COM of cluster, but in the real pulling process, the force is applied
to each of the molecule in the cluster, or each of the atom in the cluster?

Thanks in advance!

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