[gmx-users] a recruit's quention

Mark Abraham mark.abraham at anu.edu.au
Sat Jul 7 08:28:30 CEST 2007

> Dear fellow GROMACS users,
> I am a recruit to GROMACS.I have a question that could  GROMACS be adapted
> to simulate liquid crystal molecules?

Probably yes. This depends on the algorithms you actually want to use.

> If the answer is yes,what force
> field should be choosen?

Probably not any of the ones currently implemented. You need to consult
the appropriate literature, or an expert on liquid crystal simulations
unless you're lucky enough to find one here by accident.


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