[gmx-users] to visualise protein conformation after every 1ns
David van der Spoel
spoel at xray.bmc.uu.se
Fri Jul 16 09:04:42 CEST 2010
On 7/16/10 9:02 AM, sonali dhindwal wrote:
> Hello All,
> Sorry for a dumb question,,but I have a query that I want to run a 5 ns
> simulation on one of the protein and I want to see protein's
> conformation after every 1 ns,i.e to have a pdb file, so how should I
> proceed or changes should I make in mdp file.
> Thanks
>
> --
> Sonali Dhindwal
>
>
trjconv -o koko.pdb -dt 1000 -s -f -sep
--
David.
________________________________________________________________________
David van der Spoel, PhD, Professor of Biology
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
spoel at xray.bmc.uu.se spoel at gromacs.org http://folding.bmc.uu.se
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