Hi,
Just to add to Dave's advice, if you are running in parallel try
running in serial.
-Dan
On Tue, May 7, 2013 at 6:45 AM, David A Case <case.biomaps.rutgers.edu> wrote:
> On Tue, May 07, 2013, Subrata Paul wrote:
>>
>> I want to run another md run from the previous restart file ( md.rst file)
>> with the same input file but it is not runing.
>> the output file stop at this stage
>>
>> ntpr=2000, ntwx=2000,
>> nstlim=400000,
>
> Usual advice: set nstlim=10, ntpr=1; see what happens.
>
> ...dac
>
>
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--
-------------------------
Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 201
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http://home.chpc.utah.edu/~cheatham/
(801) 587-9652
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Received on Tue May 07 2013 - 07:30:03 PDT
