[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 



Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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