OK, thanks much!
On Thu, Jun 9, 2011 at 10:50 AM, Daniel Sindhikara <sindhikara.gmail.com>wrote:
> 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!
>
> -Dan
>
>
> On Thu, Jun 9, 2011 at 11:35 AM, Azat Mukhametov <azatccb.gmail.com>
> 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
> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
> >
>
>
>
> --
> Dr. Daniel J. Sindhikara
> Institute for Molecular Science
> E-mail: sindhikara.gmail.com
> Website: http://sites.google.com/site/dansindhikara/
> --
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Jun 08 2011 - 20:00:03 PDT
