Re: [AMBER] ERROR IN SETPAR() upon atom distribution with FF03, 03.r1

From: case <>
Date: Wed, 16 Feb 2011 09:51:39 -0500

On Tue, Feb 15, 2011, Bongkeun Kim wrote:
> I got a following error message when running REMD ...

Is this specific to REMD? Do you get the same error with a simpler run?
> This "ERROR IN SETPAR() upon atom distribution" error occurs even with
> nmropt=0 and I guess it's from the specific sequence such as a
> sequence starting with GLU AA.

Why do you think it is related to the first amino acid? Do you think it is
specific to ff03 (say vs. ff99SB?)


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Received on Wed Feb 16 2011 - 07:00:05 PST
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