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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