[AMBER] RESP "too many charge-group constraints" error

From: Justine Shaw <j-shaw.northwestern.edu>
Date: Wed, 28 Jul 2010 15:24:05 -0500

Hello AMBER community,
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.....
Thanks in advance,
Justine 
-- 
*****************************
Justine A. Shaw -PhD Candidate
ÖËÕ '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 - 13:30:03 PDT
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