[gmx-users] gromacs mdrun problem

[Mark Abraham]

Hi,

The list does not accept attachments, unfortunately. However, your problem
is probably solvable via the advice at
http://www.gromacs.org/Documentation/Terminology/Blowing_Up. There's also
probably no reason to do a run with position restraints for urea in water,
since there's little that is special about your starting configuration. See
also http://www.gromacs.org/Documentation/How-tos/Mixed_Solvents.

Mark

On Mon, Oct 3, 2016 at 8:25 AM ISHRAT JAHAN <jishrat17 at gmail.com> wrote:

> Dear all
>  I am trying to simulate 3M urea in a water box.when i do the mdrun of pr ,
> i get too many LINCS warning and also segmentation fault(core dumped).
>
> I am attaching my em.mdp and pr.mdp file below-
>
>
>
>
>
>
> Thanks in advance
> --
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