[gmx-users] inter molecular distance restraints?
tsjerkw at gmail.com
Tue Apr 11 16:05:16 CEST 2006
Besides that, searching through the gromacs user list with keywords like
"distance" "restraints" "between" "molecules" would have given some good
On 4/11/06, Mark Abraham <mark.abraham at anu.edu.au> wrote:
> > 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
> > 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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Tsjerk A. Wassenaar, M.Sc.
Groningen Biomolecular Sciences and Biotechnology Institute (GBB)
Dept. of Biophysical Chemistry
University of Groningen
9747AG Groningen, The Netherlands
+31 50 363 4336
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