[gmx-users] g_mindist

James Lord jjamesgreen110 at gmail.com
Wed Dec 17 18:22:39 CET 2014


Dear users,
I have MD of protein adsorption at an oil phase and am trying to calculate
the number of residues that contact the oil at each point in time? I have
tried
g_mindist -f mol.xtc -s md.tpr -on  numcont.xvg
also with -group option but none of them gave what I am looking for. any
comments??
Cheers
James


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