[gmx-users] Center of mass: distance restrain for groups
Justin A. Lemkul
jalemkul at vt.edu
Mon Sep 26 19:05:35 CEST 2011
Li, Hualin wrote:
> Dear GMX users,
>
> How are you doing? I have a question about using distance restrain in GROMACS, have you ever use the distance restrain to between the protein and the center of mass of membrane. In gromacs, I can not find the option to choose the center of mass of specific groups like membrane.
> Any ideas please? Thank you very much for your help.
>
Use the pull code. Distance restraints cannot be applied between different
molecules.
-Justin
--
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Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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