[gmx-users] Ligand Virtual Sites

[Oliver Schillinger]

Hi,
I was wondering if there is any automated way of constructing hydrogen 
virutal sites for non-trivial ligands (more than just a few atoms).
I have of course read Justins tutorial, but non-linear molecules seem 
much more elaborate.
Cheers,
Oliver

-- 
Oliver Schillinger
PhD student

ICS-6 - Structural Biochemistry
Building 5.8v, Room 3010
Phone:  +49 2461-61-9532
Mobile: +49 172 53 27 914

Forschungszentrum Juelich GmbH
52425 Juelich
Sitz der Gesellschaft: Juelich
Eingetragen im Handelsregister des Amtsgerichts Dueren Nr. HR B 3498
Vorsitzender des Aufsichtsrats: MinDir Dr. Karl Eugen Huthmacher
Geschaeftsfuehrung: Prof. Dr. Achim Bachem (Vorsitzender),
Karsten Beneke (stellv. Vorsitzender), Prof. Dr.-Ing. Harald Bolt,
Prof. Dr. Sebastian M. Schmidt