[AMBER] another leap inconsistency

From: Hannes Loeffler <Hannes.Loeffler.stfc.ac.uk>
Date: Thu, 2 Jul 2015 14:44:03 +0100

Hi,

I have found an inconsistency with leap when creating the prmtop for the
same molecule (neopentane in this case) but in different atom order.
The difference in the two prmtops is in the list of excluded atoms. See
attachment.

Cheers,
Hannes.

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Received on Thu Jul 02 2015 - 07:00:03 PDT
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