[gmx-users] MD simulation at 318K

swagata chakraborty swagata.chakraborty at gmail.com
Tue Dec 28 08:17:45 CET 2010


Hi,
 I want to execute MD simulation of my Protein at 318K. Should I keep ref_t
at 300K and gen_temp at 318K in the pr.mdp and md.mdp files? Do I need to
change any other parameters as well.

Thanks in advance,

Regards,
Swagata Chakraborty
Research Scholar,
Department of Chemical Sciences,
Tata Institute of Fundamental Research,
Mumbai-400005
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