[gmx-users] Again on restrained EM

David van der Spoel spoel at xray.bmc.uu.se
Tue Apr 30 21:18:18 CEST 2002

On Tue, 30 Apr 2002, Ivano Eberini wrote:

>minimization), so I was wondering if I could use a posre.itp file 
>containing all the backbone and active site atoms with an isotropic 
>constant force (1000 kJ mol^-1 nm^-2).
I think genpr will do what you want.

Groeten, 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

More information about the gromacs.org_gmx-users mailing list