it also would help to know what Amber version you are using.
On Mon, Sep 13, 2010 at 10:46 PM, Daniel Sindhikara <sindhikara.gmail.com>wrote:
> 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
> >
> >
> >
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
> >
>
>
>
> --
> 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 Tue Sep 14 2010 - 04:00:03 PDT
