[gmx-users] position restraints

[Peter C. Lai]

you could also manually edit posres.itp and then specify -DPOSRES
in your .mdp.

On Thu, Aug 15, 2002 at 04:04:58PM -0400, T. Zaraiskaya wrote:
> 
> How to fix the positions of selected atoms during the simulation run
> in GROMACS?
> 
> I found something on p61 "Position restraints" in the manual, but it does
> not explain how to do it.
> 
> thanks
> 
> t.,
> 
> 
> -- 
> ====================================
> Tanya Zaraiskaya
> Physics Department
> University of Guelph
> Guelph, ON, N1G 2W1
> CANADA
> email:tz at helios.physics.uoguelph.ca
> phone:(519)824-4120 x8346.
> 
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-- 
Peter C. Lai
University of Connecticut
Dept. of Molecular and Cell Biology | Undergraduate Research Assistant
Yale University School of Medicine
Center for Medical Informatics | Research Assistant
http://cowbert.2y.net/