[gmx-users] fixing HOH
Alan Wilter Sousa da Silva
alan at lncc.br
Sun Oct 17 23:03:40 CEST 2004
Hi List!
I was wondering if pdb2gmx is able to rebuild missing Hidrogens of
structural waters from cristallographic PDB.
Maybe does it depends on PDB atom nomenclature?
Thanks for any help.
Cheers,
Alan
--
--------------------------
Alan Wilter Sousa da Silva
--------------------------
D.Sc. - IBCCF/UFRJ
Projeto BioPAUA - HP/LNCC
Petrópolis (RJ), Brasil
www.lncc.br/~alan
More information about the gromacs.org_gmx-users
mailing list