Re: [AMBER] converting AMBER minimized file to PDB/MOL2

From: Kasam, Vinod <vkasam.coh.org>
Date: Mon, 25 Feb 2013 12:21:38 -0800

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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Received on Mon Feb 25 2013 - 12:30:04 PST
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