[gmx-users] PBS script

[manoj singh]

:)

I am basically a Charmm and Amber user and I have used Gromacs 3.X coupe of
years ago. Now, for some reason I need to use Gromacs-4.x again. My old PBS
script is not working anymore for this newer version for Gromacs. I just
wanted to see if there is anything  special required for the newer version
for Gromacs and that is way I wanted to see a working script.

Sincerely,

On Sun, Sep 12, 2010 at 7:27 PM, KS Rotondi <ksr at chemistry.umass.edu> wrote:

> 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 <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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