[gmx-users] a recruit's quention

[David van der Spoel]

Mark Abraham wrote:
>> 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.

search literature for papers by Makoto Yoneya, he did this more than 10 
years ago.
> 
>> 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.
> 
> Mark
> 
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-- 
David van der Spoel, Ph.D.
Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205. Fax: +4618511755.
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se