Francois,
Thanks for reply. I believe the version of RESP I am using is included with
the AMBER10 package. That shoudl be current
enough, yea?
-Justine
On Wed, Jul 28, 2010 at 3:32 PM, FyD <fyd.q4md-forcefieldtools.org> wrote:
> Dear Justine,
>
> > I am using RESP to generate a charge distribution for a heme molecule. I
> > have run into this error message, Too many charge-group constraints
> Maximum
> > allowed: 100" Is there a simple work around known for this? My
> particular
> > molecule has 101 atoms.....
>
> I wonder if the RESP version you use is not old...
>
> You could upload the last version of the AmberTools or directly use that @:
> http://q4md-forcefieldtools.org/RED/resp/
>
> regards, Francois
>
>
>
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>
--
*****************************
Justine A. Shaw -PhD Candidate
ΦΛΥ '09-'10 Service Chair
Profs. Ratner and Meade Research Groups
Department of Chemistry
Northwestern University
Office: 4039 Nano (Ryan Hall)
Office Phone: 847 467 4991
Cell: 773-354-7135
Email: j-shaw.northwestern.edu
*************************************
"Let's do this....!"
-Justine Shaw
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Received on Wed Jul 28 2010 - 14:00:07 PDT
