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
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Received on Mon Feb 25 2013 - 13:00:02 PST
