[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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