Re: [AMBER] AMOEBA potentials

From: David A Case <>
Date: Fri, 7 Oct 2011 09:43:31 -0400

On Fri, Oct 07, 2011, Neha Gandhi wrote:
> Yes, the program sleap works find if I try to use saveamoebaparm and save
> the parameters only for proteins. But when I try to combine chloride ion and
> water with peptide, it doesn't work.

Well, as I have mentioned a couple of times before, it would be very helpful
to get the *exact* commands you gave, and enough information to be able to
reproduce the problem; the *exact* error message is also often very helpful.
Does your system work with water but without chloride? The basic idea is to
try to narrow down the origin of the problem.


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Received on Fri Oct 07 2011 - 07:00:03 PDT
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