[gmx-users] H6 DPOPG problem
marco.franzoi89 at gmail.com
Wed Apr 20 14:21:20 CEST 2016
Dear gromacs users, I'm trying to run a simulation using a preequilibrated
membrane. everything looks fine until I try to run an energy minimization.
Apparently there is an energy clump so EM stops after some steps without
reaching the requested Fmax. The problem seems to involve the H6 atoms of
I've tried to run a position constrained equilibration to check if the
problem involves water packing but this did not help.
Do you have any clue of what can be wrong?
Thanks for your help.
University of Padua
Department of biology, V floor South
Mail: marco.franzoi89 at gmail.com
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