Dallas B. Warren wrote:
I seem to say this several times per week: in my experience (and in
the
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?
Excellent idea. Done and done.
http://www.gromacs.org/index.php?title=Download_%26_Installation/Related_Software/PRODRG#Tips
-Justin
Catch ya,
Dr. Dallas Warren
Drug Delivery, Disposition and Dynamics
Monash Institute of Pharmaceutical Sciences, Monash University
381 Royal Parade, Parkville VIC 3010
dallas.war...@pharm.monash.edu.au
+61 3 9903 9167
---------------------------------
When the only tool you own is a hammer, every problem begins to resemble
a nail.
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
========================================
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