[gmx-users] Targeted Molecular Dynamics Simulation

sanjay23 at iitb.ac.in sanjay23 at iitb.ac.in
Fri Oct 2 08:22:04 CEST 2009

I want to simulate a comformation change of a protein from state A to B.
>From reference, I know the targeted molecular dynamics developed by
Prof. J. Schlitter can do such task. I have also read few papers in which
people has used gromacs for TMD. I searched gmx mailing list but i did not
fined sufficient information about it. If any one provide a link for it or
a sample mdp file, it will very helpful for me.
Thanks in advanced.
Sanjay Kumar Upadhyay
Research Scholor
Protein Dynamics lab
Dept of Chemistry
IIT Powai, Mumbai, 400076
Ph no. 09699353562, 09870553609

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