Re: [AMBER] Antechamber trouble with COA-acyl chain

From: Erin Kelly <erkelly4572.gmail.com>
Date: Tue, 12 Jul 2011 11:37:15 -0500

Here is the most recent pdb.

Thanks,
Erin

On Tue, Jul 12, 2011 at 11:32 AM, David A Case <case.biomaps.rutgers.edu>wrote:

> On Tue, Jul 12, 2011, Erin Kelly wrote:
> >
> > I've been trying to produce a mol2 file from a pdb generated using
> ChemDraw
> > because 'reduce' would not add hydrogens to an unrecognized part of my
> > ligand. The ligand is a COA with a 10 carbon acyl chain.
>
> Can you post the pdb file you gave to antechamber?
>
> ...thx...dac
>
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>


_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber


Received on Tue Jul 12 2011 - 10:00:04 PDT
Custom Search