[gmx-users] Restrained EM and cut-offs

[David van der Spoel]

On Tue, 30 Apr 2002, Ivano Eberini wrote:

>I am trying a new EM as you suggested.
>I have a doubt about the nstcomm parameter. I am running my EM in vacuo 
>and I set:
>nstcomm = -1
>Is it right?
nstcomm has no effect in EM. It modifies the velocities, but there are 
none in EM.

David,
________________________________________________________________________
Dr. David van der Spoel, 	Biomedical center, Dept. of Biochemistry
Husargatan 3, Box 576,  	75123 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://zorn.bmc.uu.se/~spoel
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