[gmx-users] Error running gromacs tutorial

Suprim Tha shrestha.suprim123 at gmail.com
Fri Oct 11 15:20:29 CEST 2019


Thanks sir. The problem is resolved now.

On Fri, 11 Oct 2019, 6:52 pm wangyue2018 at lzu.edu.cn, <wangyue2018 at lzu.edu.cn>
wrote:

> Hi, I remember  mdp file control this problem.
>
>
> Yue
>
> Sent from my iPhone
>
> > On Oct 10, 2019, at 5:24 PM, antonia vyrkou <avyrkou at gmail.com> wrote:
> >
> > Does the minimization end normally or it crashes?
> >
> > On Thu, Oct 10, 2019 at 9:27 AM Suprim Tha <shrestha.suprim123 at gmail.com
> >
> > wrote:
> >
> >> I was trying Gromacs based upon the tutorial on
> >> http://www.mdtutorials.com/gmx/lysozyme/05_EM.html
> >> However, when I run the command gmx mdrun -v -deffnm em, only em.log,
> >> em.edr and em.tpr are formed but not em. trr and em.gro Without the
> energy
> >> minimized .gro file, I cannot continue further. Please help me with
> this. I
> >> have tried two different proteins and still I am stuck with the same
> step.
> >> Thanks in advance.
> >> --
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