[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
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
More information about the gromacs.org_gmx-developers
mailing list