On 5/9/12 11:34 AM, Steven Neumann wrote:
Dear Gmx Users,
My plane surface is made of atoms. I would like to restrain positions between
them so they will move all togehter or create bonds between them. Would you
advise how to do this in the easiest way?
If you need to "restrain positions" then you need [position_restraints]. The
form of the restraints follows from the structure of the topology.
Also note that you cannot create bonds in a classical MD simulation. If you
need to maintain some distances, then use actual bonds or [distance_restraints].
-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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