Re: AMBER: leap problem

From: David A. Case <>
Date: Thu, 10 May 2007 13:51:13 -0700

On Wed, May 09, 2007, Achuth Prabhu wrote:
> Im trying to get a topology and coordinate file using xleap (Amber9 - os
> fedora) for my polymer system. I prepared the prepi and frcmod files
> using antechamber. I loaded all these files to xleap in the same order
> and when i tried to save the topology and coordinate file it shows a
> really big list of missing bond and angle parameters.

Works for me: you don't say what commands you gave to LEaP, nor to give
even one example of the error message, so it's really hard to help very much.
Here's what I did:

source leaprc.gaff
loadAmberParams poly.frcmod
loadAmberPrep poly.prepi
saveAmberParm <1> prmtop prmcrd

I didn't see any error messages. If this doesn't work for you, please try to
say *exactly* what you did.


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Received on Sun May 13 2007 - 06:07:30 PDT
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