[gmx-users] The temperature change

Gia Maisuradze gia at chem.unr.edu
Thu Mar 17 08:08:10 CET 2005


I am studying lambda-repressor. I have done MD calculations for 300K 
temperature using mdp files given in tutorial. Now I want to run MD
calculations for 80K, 140K, and 180K. In order to run MD for these
temperatures I have to change in mdp files: ref_t, gen_temp.
Do I need to change tau_t (inverse friction constant)? If yes, what numbers
should I use for tau_t for abovementioned temperatures?

Thank you very much in advance.

Gia Maisuradze

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