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
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Jul 28 2010 - 14:00:03 PDT
