[gmx-users] H6 DPOPG problem

[Marco Franzoi]

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
DPOPG lipids.

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.
Marco

Marco FRANZOI
PhD Student
University of Padua
Department of biology, V floor South
Tel: 3405086908
Mail: marco.franzoi89 at gmail.com