[gmx-users] Restrained EM and cut-offs

David van der Spoel spoel at xray.bmc.uu.se
Wed May 1 02:43:37 CEST 2002

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.

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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