Dechang Li wrote:
In the 16 CPUs simulation, the RMSD of protein at t=0 was about
0.1 nm, why not equal to zero? I used the initial structure for the
least squares fit.
If you've done an equilibration or EM, the structure can have changed
during that.
I mean the initial structure is
gmx-users-request,您好！
Message: 1
Date: Sat, 5 Apr 2008 11:48:15 +0800
From: DeChang Li [EMAIL PROTECTED]
Subject: [gmx-users] RMSD VS. parallel simulation
To: gmx-users@gromacs.org
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[EMAIL PROTECTED]
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Dear all,
I
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