[gmx-users] scaling non-bonded interactions between groups

Chris Page chris.page at cancer.org.uk
Wed Nov 20 16:10:18 CET 2002


Hi,

Rather than completely exclude all non-bonded interactions between two
given groups, I would like to be able to scale them uniformly by an
arbitrary factor.  Being relatively new to gromacs, I was wondering if
anyone had any advice on what might be the simplest/safest way of
implementing this (ie. that preferably doesn't involve hacking the inner
loops)?

Thanks very much for your help,
Chris




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