[gmx-users] How to select atoms dynamically

Elton Carvalho eltonfc at if.usp.br
Wed Sep 8 17:49:47 CEST 2010


On Wed, Sep 8, 2010 at 11:23 AM, zhongjin <zhongjin1000 at yahoo.com.cn> wrote:
>
> Hi,
>   I want to analyze the local density of water in CNT,but the water in CNT are not static,in one frame, it is in the CNT,but in another frame, it is may not ,how to select the waters in CNT DYNAMICALLY?
> Zhongjin He

Hello, zhongjin.

May I contact you off-list with some questions about CNT in GROMACS?

--
Elton Carvalho
Tel.: +55 11 3091-6985/6922
Dept Física dos Materiais e Mecânica
Instituto de Física
Universidade de São Paulo
P.O. Box 66318 - 05314-970 São Paulo-SP, Brazil



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