I apologize to all for this, as I meant it to be a single reply; but as someone who has quietly watched the soon Dr. Lemkul bust his chops providing first class advice/assistance to any and all, usually w/in 15 min, everyday for years, I could not abide someone suggesting less than complete commitment to help on Justin's part.

KSR

On Sep 12, 2010, at 6:27 PM, KS Rotondi wrote:

it must be hard to do your own research

On Sep 12, 2010, at 5:52 PM, manoj singh wrote:

Thanks for reminding me the existence of Google.
It must be hard to copy and paste few lines of the PBS script than advertising the Google.

On Sun, Sep 12, 2010 at 5:23 PM, Justin A. Lemkul <jalem...@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 <jalem...@vt.edu <mailto:jalem...@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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