Re: AMBER: antechamber run on charged system

From: snoze pa <snoze.pa.gmail.com>
Date: Wed, 23 Jan 2008 13:34:04 -0600

Use Chimera, I test your PDB in chimera and it is working fine. Chimera uses
antechamber.

On Jan 23, 2008 12:37 PM, David A. Case <case.scripps.edu> wrote:

> On Wed, Jan 23, 2008, san_amber roy wrote:
>
> > I tried to run antechamber on the
> system
> > of total charge -1, using the command
> > $AMBERHOME/exe/antechamber -i p_d.pdb -fi pdb -o p_d.prepin -fo prepi -c
> bcc
> > -s 2 ,
>
> Look at the "-nc" flag to antechamber.....dac
>
> -----------------------------------------------------------------------
> The AMBER Mail Reflector
> To post, send mail to amber.scripps.edu
> To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
>

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Sun Jan 27 2008 - 06:07:09 PST
Custom Search