[gmx-users] adding hydrogen

Krzysztof Kuczera kkuczera at ku.edu
Wed Jan 25 17:05:04 CET 2012

I recommend the CHARMM-GUI website from Wonpil Im's group
- use the 'PBD reader' tool


On 1/25/12 4:29 AM, lina wrote:
> Hi,
> are there some tips of quick adding missing atoms ( namely hydrogens,
> non-titrable ones, or some ligands ones) ?
> Thanks,

Krzysztof Kuczera
Departments of Chemistry and Molecular Biosciences
The University of Kansas
2010 Malott Hall
Lawrence, KS 66045
Tel: 785-864-5060 Fax: 785-864-5396 email: kkuczera at ku.edu

More information about the gromacs.org_gmx-users mailing list