Re: AMBER: water hole

From: Holly Freedman <holly.mercury.hec.utah.edu>
Date: Wed, 14 Apr 2004 18:32:06 -0600

Thanks so much Prof. Case, I am having some trouble reading the tar
file. I'm not receiving it as an attachment but rather as an extension
of you message. Do you know a better way to send it so it would be
easier to open or would you mind just attaching the files separately.
This is so helpful, we've been so stuck on this problem
-- Holly

Amber Administration wrote:

>On Mon, Apr 12, 2004, Holly Freedman wrote:
>
>
>>Here is the prepin file. This one is for 2oxopyridine, which gave the
>>error message.
>>
>>
>
>Everything looks fine to me. I ran a nanosecond of the oxopyridine
>simulation, equilibrating at dt=0.001 then running with dt=0.002. I did
>not see any evidence of any instability.
>
>I'm attaching a tar file with my leap.log file, and with the outputs of
>four md-runs (three equilibrations and one longer "run"). The inputs are
>at the tops of each output file. Maybe you can compare these to your
>results and see something that is different.
>
>...good luck....dac
>
>
>


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Received on Thu Apr 15 2004 - 01:53:00 PDT
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