[gmx-users] generating gro files using pdb2gmx without adding hydrogen

balamurugan r biobee at rediffmail.com
Thu May 19 09:06:39 CEST 2005


  Dear Sir,
            I have to run MD simulation for a protein under certain pH and i have added the hydrogens to the pdb file accordingly using BUILDER module in InsightII.  
           Now i have the pdb file with required hydrogens added and i want to generate a gro file but i dont want pdb2gmx to add further hydrogens to my pdb file.
           What are my options?

Balamurugan
Bioinformatics Centre
Pondicherry University
India

                         
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20050519/1b06403c/attachment.html>


More information about the gromacs.org_gmx-users mailing list