[gmx-users] Error in full MD

ISHRAT JAHAN jishrat17 at gmail.com
Tue Apr 17 12:56:43 CEST 2018


here is my log and mdp file.....

On Tue, Apr 17, 2018 at 3:22 PM, RAHUL SURESH <drrahulsuresh at gmail.com>
wrote:

> Hi
>
> Please add your log file as well as your mdp settings.
>
> On Tue, Apr 17, 2018 at 3:10 PM, ISHRAT JAHAN <jishrat17 at gmail.com> wrote:
>
> > Dear all,
> > I am trying to do md simulation of protein in osmolyte. When I run the
> full
> > md, the simulation stops after 9 ps with lots of step.pdb file. No error
> > appears in .log file but simulation stop.  will anyone please tell me
> what
> > should I do as I am unable to understand the error. Also no error appears
> > in energy minimization and equillibration steps.
> > Thanks
> >
> > --
> > Ishrat Jahan
> > Research Scholar
> > Department Of Chemistry
> > A.M.U Aligarh
> > --
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>
>
> --
> *Regards,*
> *Rahul Suresh*
> *Research Scholar*
> *Bharathiar University*
> *Coimbatore*
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> Gromacs Users mailing list
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-- 
Ishrat Jahan
Research Scholar
Department Of Chemistry
A.M.U Aligarh


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