[gmx-users] about g_bond

[David van der Spoel]

Rui Li wrote:
> Dear all,
> I want to know the usage of g_bond.
> When I use g_bond , it prompt me to Select a group, If there are odd number of
> atoms in group, it will warn.
> sometimes it produces error
> Fatal error:
> No distribution... (i0 = 999, i1 = 1)? ? ! ! ? !
> what is the meaning?
you need to define bonds by two atom numbers

1 3
2 4
3 5

in the index file.
check mk_angndx -h

> 
> Thanks in advance!
> 
> 
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-- 
David van der Spoel, Ph.D.
Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205. Fax: +4618511755.
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se