[gmx-users] [gmx-user]defined least squares plane

David van der Spoel spoel at xray.bmc.uu.se
Fri Jan 4 22:39:02 CET 2002

On Fri, 4 Jan 2002, Jang Seokyoung wrote:

>I am a "kindergarten" user of GROMACS
>i'm already with serious troubles.
>The problem is making plane of 7 atoms.
You have to define lots of improper dihedrals. Have a look in the printed
manual, or try to pdb2gmx a PHE residue from a random pdb file.

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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