AMBER Archive (2007)

Subject: Re: AMBER: leap problem

From: David A. Case (case_at_scripps.edu)
Date: Thu May 10 2007 - 15:51:13 CDT

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.

...dac

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