SV: Re: [gmx-users] constraint distance
blegbirk at yahoo.dk
Mon Sep 11 14:26:58 CEST 2006
maybe I am misunderstanding either the manual or the topic.. but - in my world -
I never stop being puzzled by the part of chapt 6 in the manual which apparently
says that such distance constraining is possible even though it (seems) to be
secretly known that it is _not_ possible unless one uses the method suggested
I believe, I suggest adding a comment in the manual.
Tsjerk Wassenaar <tsjerkw at gmail.com> skrev: Hi Kanin,
The only way to get away with that is to merge your two parts to form
one molecule, with the only connection being a distance_restraint (or
another bonded term if you want to emulate bond-like behaviour such as
On 9/11/06, kanin wichapong wrote:
> Dear All
> I would like to know how to constraint the distance between the
> different molecule, ex. the ligand and the protein. As far as I know
> whatever to do the constraint, distance, angle dihedral, it can do just in
> the same molecule.
> Thank you in advance for all of your help.
> With Best all regard,
> gmx-users mailing list gmx-users at gromacs.org
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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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