[gmx-users] inter molecular distance restraints?

Mark Abraham mark.abraham at anu.edu.au
Tue Apr 11 15:48:03 CEST 2006

> Hi,
> I was just wondering if is possible, in gromacs to apply distance
> restraints
> between molecules. So I have two ligands (part of the same complex) that I
> would like to keep together, even though they are not actually bonded
> together.

gromacs has a wonderful manual, in which there is a detailed section on
distance restraints. You having a quick look at the table of contents
would have saved 30 seconds of my life... I am sounding nicer about this
than I feel! :-)


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