[gmx-users] Why the carbons in the benzene can not keep in theplane when i d

[Berk Hess]

>From: "Hanming" <hanming at iccas.ac.cn>
>Reply-To: Discussion list for GROMACS users <gmx-users at gromacs.org>
>To: gmx-users at gromacs.org
>Subject: [gmx-users] Why the carbons in the benzene can not keep in 
>theplane when i do the bd?
>Date: Wed, 14 Jul 2004 05:32:22 GMT
>
>Hi, All,
>
>I use the same .gro and .top file to do the MD and BD. The strange thins is
>that the carbons in the benzene can not keep in one plane when i do the BD
>while it is ok in MD.
>Who knows why?

Probably a too large ratio of the time step over the friction coefficient.

Berk.

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