[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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