[gmx-users] MD simulation at 318K

[Shi Wenxiong (Dr)]

ref_t at 318K
________________________________
From: gmx-users-bounces at gromacs.org [gmx-users-bounces at gromacs.org] On Behalf Of swagata chakraborty [swagata.chakraborty at gmail.com]
Sent: Tuesday, December 28, 2010 3:17 PM
To: gmx-users at gromacs.org
Subject: [gmx-users] MD simulation at 318K



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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