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?)
...thanks...dac
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Received on Wed Feb 16 2011 - 07:00:05 PST
