Re: [AMBER] TI-Problems

From: Kirsten Heitmann <kirstenheitmann.gmx.net>
Date: Sat, 02 Oct 2010 10:05:20 +0200

Am Samstag, den 02.10.2010, 00:28 -0400 schrieb
steinbrt.rci.rutgers.edu:
> Hi,
>
> do both of your output files stop without a message? Often, the error
> notice only appears in one of the two groups.
>
> Kind Regards,
>
> Thomas
>

Hi,

no: by lambda 0.1 its stops without an error message and with lambda 0.2
it runs without any problem to the end.
The remove of charge steps runs by both of them without any problem.

Kind Regards,
Kirsten




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Received on Sat Oct 02 2010 - 01:30:03 PDT
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