Re: Issues with SMD

From: Brian Bennion (brian_at_youkai.llnl.gov)
Date: Mon May 10 2004 - 11:04:13 CDT

Hello,

Has anything been done to address the problem below? If so it would be
nice to post a followup message...

Regards,
Brian

On Mon, 26 Apr 2004, Gadi Oron wrote:

> Hi,
>
> I have found an issue with SMD. When SMD is used, and the starting
> timestep is not 0, the SMD force is calculated wrongly.
>
> Compare:
>
> FirstTimeStep = 160000
> SMD 160000 -1.00756 -0.140782 29.1221 0 0 5618.41
>
> FirstTimeStep = 0
> SMD 0 -1.00756 -0.140782 29.1221 0 0 849.376
>
> A bug?
>
> Regards
> --
> ================= Gadi ORON, PhD -o- Proteologics ======================
> ========== gadi/at/proteologics.com ========== +972 8 9475666 ==========
> Most burning issues generate far more heat than light.
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**Brian Bennion, Ph.D. **
**Computational and Systems Biology Division **
**Biology and Biotechnology Research Program **
**Lawrence Livermore National Laboratory **
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