Dear Justin,
Thank you for your help, however, the problem was originated from absence
of -table table_d1.xvg flag in my mdrun command.
Now it is fixed.
BR
Arman
On Sat, Oct 13, 2012 at 10:30 PM, Justin Lemkul wrote:
>
>
> On 10/13/12 9:49 AM, Arman Mahboubi Soufiani wrote:
>
>> Dear Justin,
On 10/13/12 9:49 AM, Arman Mahboubi Soufiani wrote:
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*
These commands would not produce the error posted previously.
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 wrote:
>
>
> On 10/13/12 9:05 AM, Arman M. Soufiani 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
--
==
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