[gmx-users] enegry minimisation

Dallas B. Warren Dallas.Warren at pharm.monash.edu.au
Thu May 20 02:03:33 CEST 2010

> I seem to say this several times per week: in my experience (and in
> experience of many others who have posted here) the charges and charge
> groups output by PRODRG are often unsatisfactory, requiring manual

Might be an idea then to put the comments on the PRODRG page on the
GROMACS website / wiki and direct people there?

Catch ya,

Dr. Dallas Warren
Drug Delivery, Disposition and Dynamics
Monash Institute of Pharmaceutical Sciences, Monash University
381 Royal Parade, Parkville VIC 3010
dallas.warren at pharm.monash.edu.au
+61 3 9903 9167
When the only tool you own is a hammer, every problem begins to resemble
a nail.

More information about the gromacs.org_gmx-users mailing list