[gmx-users] [Fwd: fix the temperature]

David spoel at xray.bmc.uu.se
Thu Jun 16 21:58:47 CEST 2005


-------- Forwarded Message --------
From: Lin Zhen <janezhenlin at gmail.com>
Reply-To: Lin Zhen <janezhenlin at gmail.com>
To: David <spoel at xray.bmc.uu.se>
Subject: fix the temperature
Date: Thu, 16 Jun 2005 16:47:58 -0300
hi david

     Thank you for your reply.

     I want to fix the temperature in the simulation, so in my mdp file 

ref_t = 220
gen_vel = yes
gen_temp = 220
bd-temp = 220

Is this the right way to set temperature always be 220k?

-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,          75124 Uppsala, Sweden
phone:  46 18 471 4205          fax: 46 18 511 755
spoel at xray.bmc.uu.se    spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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