vijaya subramanian wrote:
The average temperature.
From: Mark Abraham <[EMAIL PROTECTED]>
Reply-To: Discussion list for GROMACS users <gmx-users@gromacs.org>
To: Discussion list for GROMACS users <gmx-users@gromacs.org>
Subject: Re: [gmx-users] (no subject)
Date: Tue, 08 May 2007 10:54:22 +1000
vijaya subramanian wrote:
Hi
I ran an md simulation on speptide, the tutorial example. The
reference temperature in the mdp file is
300 K but I find the system equilibrates to 305 K. Why is this?
because it uses a cutoff.
Is this an average or the final temperature?
Mark
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