It would help to know what the error was. Was the error message not
informative?
Can you please attach it?
--Dan
On Tue, Sep 14, 2010 at 10:53 AM, <shaktis.gbu.ac.in> wrote:
> Hi!
> I am trying to run Langevian dynamics. Below is my input file:
> 2.5ps MD equilibration on protein
> &cntrl
> imin = 0,
> irest = 0,
> ntx=1,
> ntb=0,
> cut = 10,
> temp0 = 300.0,tempi=300.0,
> ntt = 3,gamma_ln=1.0,
> nstlim = 2500, dt = 0.001,
> ntpr = 200, ntwx = 500, ntwr = 1000
> /
>
> Every time I run it, It gives an error. If I remove the "gamma_ln" option
> it runs properly.
> I am not able to figure out the problem?
>
> Regards
> Shakti
>
>
> --
> Dr. Shakti Sahi
> Assistant Professor
> School of Biotechnology
> Gautam Buddha University
> Greater Noida-201308
> India
> Ph: +91-120-2344277
> Cell: +91-9911171897
>
>
>
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>
--
Dr. Daniel J. Sindhikara
Institute for Molecular Science
E-mail: sindhikara.gmail.com
Website: http://sites.google.com/site/dansindhikara/
--
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Received on Mon Sep 13 2010 - 20:00:04 PDT
