[gmx-users] Temperature of protein-ligand systems

David van der Spoel spoel at xray.bmc.uu.se
Sun May 18 12:03:11 CEST 2014

On 2014-05-18 11:25, Jacob Babinec wrote:
> Dear Gromacs users,
> I have been debating about what temperature I should use for my protein-ligand simulation. I have seen majority of people in the literature use 300 K; however, this confuses me because 310 K is body temperature. Can anybody lead me in the right direction?
> Thank you very much,
> Jacob Babinec
300 K is room temperature where most in vitro experiments are done. The 
choice is yours.

David van der Spoel, Ph.D., Professor of Biology
Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205.
spoel at xray.bmc.uu.se    http://folding.bmc.uu.se

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