[gmx-users] How to select atoms dynamically

Justin A. Lemkul jalemkul at vt.edu
Wed Sep 8 16:29:01 CEST 2010

zhongjin 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?

There is a new tool in the 4.5 release called g_select.  It may suit your needs.


> Zhongjin He


Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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