[gmx-users] Targeted Molecular Dynamics Simulation

Christian Seifert cseifert at bph.ruhr-uni-bochum.de
Tue Oct 6 15:09:20 CEST 2009

I never used TMD, but this homepage (and the mail address on it) might
help you:



Am Freitag, den 02.10.2009, 11:52 +0530 schrieb sanjay23 at iitb.ac.in:
> 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.
M.Sc. Christian Seifert
Department of Biophysics
University of Bochum
ND 04/67
44780 Bochum
Tel: +49 (0)234 32 28363
Fax: +49 (0)234 32 14626
E-Mail: cseifert at bph.rub.de
Web: http://www.bph.rub.de

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