[gmx-users] g_sorient with tip4p

[David]

On Sun, 2003-07-13 at 14:53, Kay Gottschalk wrote:
> Hi there,
> 
> did anyone try to use g_sorient with tip4p? It complains that the 
> solvent has more than 3 atoms. One could try to convert the trajectory 
> to let's say gro format and 'manually' remove all the dummy atoms, but 
> perhaps there is a better way. Any ideas?
You can do it with trjconv and an index file.


> Thanks,
> Kay.
> 
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-- 
Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, 	Dept. of Cell and Molecular Biology
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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