[gmx-users] Steered molecular dynamics

Erik Marklund erik.marklund at chem.ox.ac.uk
Tue Dec 16 10:32:43 CET 2014

Dear Priya,

Scheck out the pull code in the Gromacs manual.

Kind regards,
Erik Marklund

Erik Marklund, PhD
Postdoctoral Research Fellow, Fulford JRF

Department of Chemistry
Physical & Theoretical Chemistry Laboratory
University of Oxford
South Parks Road

On 16 Dec 2014, at 06:57, Priya Das <priyadas001 at gmail.com<mailto:priyadas001 at gmail.com>> wrote:

Dear All,

As i am new to dynamics, i have a basic query.

I am working with channel protein and want to if steered molecular dynamics
is possible with GROMACS or not?
I want to study the dynamics of a ligand inside the channel.
How is it possible with GROMACS?

*Let us all join hands to save our " Mother Earth"*
Priya Das
Research Scholar
Dept. of Computational Biology and Bioinformatics,
University of Kerala
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