[gmx-users] RE: Question regarding Gromacs

Vitaly Chaban 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
skype: vvchaban
tel.: +38-097-8259698

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