[gmx-users] alpha c rmsd

David van der Spoel spoel at xray.bmc.uu.se
Thu Feb 7 09:43:13 CET 2002

On Thu, 7 Feb 2002, santini wrote:

 >could i calculate a  alpha carbon rmsd with a fonction like g_rmsdist ou
>and not always a rmsd on all atoms?
Yes, you have to use an index file
make_ndx -f conf.gro << EOF

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-users mailing list