[gmx-users] tabulated potentials for non-bonded interactions

Sikandar Mashayak symashayak at gmail.com
Tue May 3 04:33:10 CEST 2011


Is it possible to use use specified potentials only for vdw type non-bonded
interactions while keeping usual PME,bonded, pairs interactions?

When I specifiy "User" for vdwtype force in .mdp file, I am observing that
mdrun expects table for bonded interactions also through -tableb option and
by default uses table.xvg. Is there any way to avoid this?

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