[gmx-users] PBS script

[manoj singh]

Google given a link to very good site in regard.

http://biowulf.nih.gov/apps/gromacs/

On Sun, Sep 12, 2010 at 5:23 PM, Justin A. Lemkul <jalemkul at vt.edu> wrote:

>
>
> manoj singh wrote:
>
>> Thanks for the reply!
>>
>> I will be very thankful if you can send me whatever you have.
>>
>> I will change that according to my system.
>>
>>
> If you know enough to make changes, then you probably know enough to get up
> and running.  A Google search for "example PBS script" turns up nearly 4
> million results, the first of which contains much of the necessary basic
> information.
>
> -Justin
>
>
>>
>> On Sun, Sep 12, 2010 at 5:09 PM, Justin A. Lemkul <jalemkul at vt.edu<mailto:
>> jalemkul at vt.edu>> wrote:
>>
>>
>>
>>    manoj singh wrote:
>>
>>        Hi,
>>
>>        I will be very thankful if someone can share a sample pbs script
>>        for running Gromacs-4.5.
>>
>>
>>    Contact your system admins.  There are far too many variables for
>>    such a setup for anyone here to send such information.
>>
>>    -Justin
>>
>>        Thanks!
>>
>>
>>    --     ========================================
>>
>>    Justin A. Lemkul
>>    Ph.D. Candidate
>>    ICTAS Doctoral Scholar
>>    MILES-IGERT Trainee
>>    Department of Biochemistry
>>    Virginia Tech
>>    Blacksburg, VA
>>    jalemkul[at]vt.edu <http://vt.edu> | (540) 231-9080
>>
>>    http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
>>
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> --
> ========================================
>
> Justin A. Lemkul
> Ph.D. Candidate
> ICTAS Doctoral Scholar
> MILES-IGERT Trainee
> Department of Biochemistry
> Virginia Tech
> Blacksburg, VA
> jalemkul[at]vt.edu | (540) 231-9080
> http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
>
> ========================================
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