[gmx-developers] multiple file option

David van der Spoel spoel at xray.bmc.uu.se
Tue Mar 26 15:25:12 CET 2002


On Tue, 26 Mar 2002, Anton Feenstra wrote:

># g_confrms -f2 2.gro -n2 2.ndx -f 1.gro -n 1.gro
>or, alternatively:
># g_confrms -f 1.gro 2.gro -n 1.ndx 2.ndx
>which would then be equivalent. But, in principle I would think
>that only the second option should be good enough.

Let's keep it simple but clear. In this case g_confrms should just print 
clearly:
Using 1.gro with 1.ndx as the reference structure
Using 2.gro with 2.ndx to be fitted on the reference structure.

-- 
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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