Re: Multiple input and output files

From: Axel Kohlmeyer (
Date: Wed Nov 05 2014 - 21:51:44 CST

On Wed, Nov 5, 2014 at 9:20 PM, Debashis Kundu
<> wrote:
> Hello NAMD users,
> My name is Debashis. I am new to NAMD and this is my first mail. I am trying
> to run NPT of 4 configurations of a system. The configurations have same
> number of atoms. The topology and pdb files are in respective directories. I
> am trying to generate a single NPT script which will take input from each
> directory one after another and dump the output in respective directory. The
> simulation will run in series. I have tried to search suitable command in
> user guide but unable to find it. Please suggest me about the suitable
> commands for that.

there isn't. it doesn't make sense. just write a shell script that
calls NAMD 4 times and you are done.

> --
> ****************************************************
> Thanks and Regards,
> Debashis Kundu
> PhD student
> Drexel University
> Dept. of Chemical & Biological Engg.
> ***************************************************

Dr. Axel Kohlmeyer
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.

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