Hi Jason, Vinod,
many thanks for your suggestions.
Shashi
On Mon, Feb 25, 2013 at 3:27 PM, Jason Swails <jason.swails.gmail.com>wrote:
> ambpdb also converts to mol2 using -mol2
>
> On Mon, Feb 25, 2013 at 3:21 PM, Kasam, Vinod <vkasam.coh.org> wrote:
>
> > Hi Shashi
> >
> > Use ambpdb -p x.top <minimized.rst> output.pdb
> >
> > Vinod
> >
> > -----Original Message-----
> > From: Shashidhar Rao [mailto:shashidharr.gmail.com]
> > Sent: Monday, February 25, 2013 12:17 PM
> > To: AMBER Mailing List
> > Subject: [AMBER] converting AMBER minimized file to PDB/MOL2
> >
> > Hello,
> >
> > I would like to convert the output of an AMBER minimization run to MOL2
> or
> > PDB format. Could anyone please let me know how this could be done
> through
> > tleap? I looked for the command to import the "prmtop" and "crd" files
> in
> > the LEAP portion of the AmberTools manual, but could not identify
> suitable
> > commands.
> >
> > thanks in advance for the help,
> > Shashi
> >
> > --
> > Shashidhar N. Rao
> > 3 SERINA DRIVE
> > PLAINSBORO
> > NEW JERSEY 08536 USA
> >
> > shashidharr.gmail.com
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> --
> Jason M. Swails
> Quantum Theory Project,
> University of Florida
> Ph.D. Candidate
> 352-392-4032
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--
Shashidhar N. Rao
3 SERINA DRIVE
PLAINSBORO
NEW JERSEY 08536 USA
shashidharr.gmail.com
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Received on Mon Feb 25 2013 - 13:00:03 PST
