[gmx-users] exclusions in topological file

David van der Spoel spoel at xray.bmc.uu.se
Wed Feb 6 13:03:19 CET 2002


You have to make a molecule out of it to be able to exclude them. If you 
want them to just sit together at 2 Angstrom, make a bond between them of 
2 A.

-- 
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