[gmx-developers] introduce effective potential

[David van der Spoel]

On Tue, 2004-04-20 at 13:46, Nguyen Hoang Phuong wrote:
> At the moment, whenever I try with each value of q and epsilon, I have to
> compile the gromacs. It is very time consumming and of course it is a very
> bad way. How can I introduce these parameters into the *mdp file?
> 
you can use: userreal1 and userreal2 


> Thanks again for your help.
> 
> Phuong
> 
> >
> > Berk.
> >
> > _________________________________________________________________
> > Talk with your online friends with MSN Messenger http://messenger.msn.nl/
> >
> > _______________________________________________
> > gmx-developers mailing list
> > gmx-developers at gromacs.org
> > http://www.gromacs.org/mailman/listinfo/gmx-developers
> > Please don't post (un)subscribe requests to the list. Use the
> > www interface or send it to gmx-developers-request at gromacs.org.
> >
> 
> _______________________________________________
> gmx-developers mailing list
> gmx-developers at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-developers
> Please don't post (un)subscribe requests to the list. Use the 
> www interface or send it to gmx-developers-request at gromacs.org.
-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assist. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,          75124 Uppsala, Sweden
phone:  46 18 471 4205          fax: 46 18 511 755
spoel at xray.bmc.uu.se    spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++