Re: [AMBER] Using PQR files produced by PDB2PQR as input for tleap/xleap

From: Daniel Sindhikara <>
Date: Thu, 9 Jun 2011 11:50:00 +0900

There is a very similar command to "loadpdb" it is called "loadpdb" :)
I don't think it reads in the charges from the pqr, but it should have the
correct atom naming so that when you load the same parm set that you put in
for pdb2pqr it should have the same charges.
Give it a try!


On Thu, Jun 9, 2011 at 11:35 AM, Azat Mukhametov <> wrote:

> Hi All,
> Does anybody know, is it possible to use PQR file produced by PDB2PQR to
> prepare structures for MD simulation?
> Is here any command like "loadpdb", but for PQR file?
> Or any other way to perform conversion?
> Thanks!
> _______________________________________________
> AMBER mailing list

Dr. Daniel J. Sindhikara
Institute for Molecular Science
AMBER mailing list
Received on Wed Jun 08 2011 - 20:00:03 PDT
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