[gmx-users] gen_vel

Tsjerk Wassenaar tsjerkw at gmail.com
Tue Mar 27 15:06:17 CEST 2007


GENERATE VELOCITIES FROM A maxwell DISTRIBUTION FOR ALL ATOMS OR NOT
(keep from file or 0.0). SEE CHAPTER 7 OF THE gromacs MANUAL.

YOUR WELCOME

Tsjerk

On 3/27/07, özge kül <ozgekul8233 at yahoo.com> wrote:
> HI EVERYBODY,
>
> I HAVE A PROBLEM WITH gen_vel.IF I MAKE AN ANALYZE WITH POSITION RESTRAINT I
> USED gen_vel=yes.AFTER FOR FULL MDP I USED gen_vel=no.AFTER THAT I USED
> gen_vel=no FOR AGAIN FULL.MDP.BUT I GOT VERY BAD RMSD GRAPHICS.ANY HELP
> ABOUT WHAT IS THE MEANING OF gen_vel=no,gen-vel=yes?
>
> THANK YOU...
>
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-- 
Tsjerk A. Wassenaar, Ph.D.
Junior UD (post-doc)
Biomolecular NMR, Bijvoet Center
Utrecht University
Padualaan 8
3584 CH Utrecht
The Netherlands
P: +31-30-2539931
F: +31-30-2537623



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