Dear David,
Thank you for the reference.
Michael
*****************************
Michael Shokhen, PhD
Associate Professor
Department of Chemistry
Bar Ilan University,
Ramat Gan, 52900
Israel
email: michael.shokhen.gmail.com
email: shokhen.mail.biu.ac.il
On Mon, Aug 3, 2015 at 2:56 PM, David A Case <david.case.rutgers.edu> wrote:
> On Thu, Jul 30, 2015, Michael Shokhen wrote:
> >
> > I have several enzyme inhibitors which
> > are boronic acid derivatives: B(OH)2R.
> > Tutorial B4 describes the method how
> > to generate prmtop files for pharmaceutically
> > important compounds applying Antechamber
> > with GAFF force field.
> > There is a list of chemical elements valid for
> > the GAFF. Unfortunately, B is absent there.
> > How to work around the problem and
> > generate prmtop files for boronic acid derivatives?
>
> This might help:
>
> http://www.ncbi.nlm.nih.gov/pubmed/16153747
>
> ....dac
>
>
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Received on Tue Aug 04 2015 - 04:30:02 PDT
