[AMBER] pdb2pqr PDB processing for Amber force field

From: James Starlight <jmsstarlight.gmail.com>
Date: Thu, 5 May 2016 12:39:49 +0200

Hi all,

normally I use pdb2pqr utility to prepare pdb file for the submission
to tleap (e.g to assign protonation state under given PH and rename
name of the residues to the amber format).

Is it possible to do exactly the same operations (convert any pdb to
amber pdb format) using some prog from amber tools instead?



AMBER mailing list
Received on Thu May 05 2016 - 04:00:05 PDT
Custom Search