Re: AMBER: antechamber

From: David A. Case <case.biomaps.rutgers.edu>
Date: Mon, 13 Oct 2008 18:43:00 -0400

On Sun, Oct 12, 2008, dipti lele wrote:
>
> I wish to do membrane simulation using AMBER force field. Main component
> of the membrane is POPE. I tried running antechamber for the first time to
> generate the parameters for POPE. I satisfied all the valence by adding
> hydrogen. But even then I am getting the error.
>
> The command I used is
> antechamber -i pope_hyd.pdb -fi pdb -o pope.prepin -fo prepi -c bcc

This works fine for me. What version of antechamber are you using? (Latest is
from AmberTools1.2). If you do have the most recent version, which compiler
and operating system are you using?

...dac

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" (in the *body* of the email)
      to majordomo.scripps.edu
Received on Wed Oct 15 2008 - 05:08:40 PDT
Custom Search