[gmx-users] Re:Question regarding Gromacs
minnale_gnos at rediffmail.com
Fri Sep 26 11:55:00 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.
Thanks for the reply, what may be the reason GROMACS became great?
> > 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.
sometimes though system explodes it will generate energy minimisation output.gro file we cant use this file for further run?
This may be trivial doubts.....
Any suggestions would be appreciated
Thanks alot in advance.
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