[gmx-users] RE: Question regarding Gromacs
chaban at univer.kharkov.ua
Fri Sep 26 09:30:54 CEST 2008
> I am having general doubts regaring GROMACS those are unclear me writing you
> 1. If a system contain equal number of atoms run these systems in GROMACS and in AMBER why former one simulates faster
> than second one?
Because GROMACS is a great software.
> 2.If do minisation while running shows that
> Back Off! I just backed up step53.pdb what may be the reason?
The system is exploding.
Vitaly V. Chaban
School of Chemistry
National University of Kharkiv
Svoboda sq.,4, Kharkiv 61077, Ukraine
email: chaban at univer.kharkov.ua
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