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

From: FyD <>
Date: Wed, 28 Jul 2010 22:32:49 +0200

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 .:

regards, Francois

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Received on Wed Jul 28 2010 - 14:00:03 PDT
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