[gmx-users] on PDB2gmx

Acoot Brett acootbrett at yahoo.com
Sat Apr 7 03:41:57 CEST 2012


Dear All,
 
Can I remove all the H from the PDB file and then input it to the pdb2gmx so that pdb2gmx can produce all the correct protonation state of the protein residues including HIS?
 
Cheers,
 
Acoot   
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