[gmx-users] Regarding orientation restraints

Justin A. Lemkul jalemkul at vt.edu
Tue Aug 16 15:23:25 CEST 2011

Nitin Agrawal wrote:
> Hi,
> I want to apply orientation restraints for my helix but am not ble to 
> understand how to. Please help me. Also how can I generate the itp file 
> for orientation restraints?

Orientation restraints are discussed in section 4.3.5 of the manual, which 
includes an example [orientation_restraints] directive.  Start there, and if you 
still require additional information, please post what you are trying to 
accomplish, what you have tried, and what didn't work.



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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