[gmx-users] Error in full MD

RAHUL SURESH drrahulsuresh at gmail.com
Tue Apr 17 11:52:05 CEST 2018


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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*Rahul Suresh*
*Research Scholar*
*Bharathiar University*

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