[gmx-users] Re: Concerning a Fatal Error!

Arman Mahboubi Soufiani armansoufiani at gmail.com
Sat Oct 13 15:49:05 CEST 2012


Dear Justin,

The followings are the two successive commands I used:

*grompp -f justPLA.mdp -c 20LA-2layer-4chains.gro -p t-PLA.top -o
justPLA-em.tpr

mdrun -deffnm justPLa-em*

BR

Arman

On Sat, Oct 13, 2012 at 3:07 PM, Justin Lemkul <jalemkul at vt.edu> wrote:

>
>
> On 10/13/12 9:05 AM, Arman M. Soufiani wrote:
>
>> Dear Justin,
>>
>> I appreciate your direction. I will try to find out, however, could not
>> fix
>> it yet.
>>
>>
> Providing your exact mdrun command, copied and pasted from the terminal,
> is the fastest way to get a solution.
>
>
> -Justin
>
> --
> ==============================**==========
>
> Justin A. Lemkul, Ph.D.
> Research Scientist
> Department of Biochemistry
> Virginia Tech
> Blacksburg, VA
> jalemkul[at]vt.edu | (540) 231-9080
> http://www.bevanlab.biochem.**vt.edu/Pages/Personal/justin<http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin>
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