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
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Sun May 13 2007 - 06:07:30 PDT
