[gmx-users] Multiple constraints possible?
Mark.Abraham at anu.edu.au
Tue Sep 15 07:51:57 CEST 2009
BAN,YOUNG MIN wrote:
> I am working on constrained simulations of nanoparticle and lipid
> bilayer system. I am trying to constrain a distance between centers of
> the nanoparticle and the bilayer. Also I want to constrain z position of
> one of nanoparticle atoms at the same time. I am wondering if Gromacs
> 4.0 can perform the constrained simulation with two constraints. If so,
> how do I run the simulation? Please let me know. Thanks in advance.
Constraints, restraints and freeze groups are all distinct concepts in
GROMACS. Please have a read of the relevant sections of the manual -
they explain them well, and otherwise we're guessing which of them you
actually might want. Once you've done that, perhaps you might want to
ask a focussed question.
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