[gmx-users] the neighbour getting

[David van der Spoel]

On Mon, 2002-09-09 at 17:41, alexander yakovenko wrote:
> Hi All,
> 
> Does you know how to get the neighbour molecules from the trajectory file?
> I need to make the .ndx file with the group of water molecules, which located no more than 5A from residue 1 of my protein.
> Thank you,
there is a program for this: trjorder

> Alexander Yakovenko
> Institute of Molecular Biology & Genetic of NAS of Ukraine
> 03143
> acad.Zabolotnogo str. 150
> Kiev
> Ukraine
> ______________________________________________
> E-mail: yakovenko_a at ukr.net
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-- 
Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, 	Biomedical center, Dept. of Biochemistry
Husargatan 3, Box 576,  	75123 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://zorn.bmc.uu.se/~spoel
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