AMBER Archive (2007)

Subject: AMBER: cyclohexane and decalin on amber

From: Jones de Andrade (johannesrs_at_gmail.com)
Date: Sat Sep 29 2007 - 10:26:02 CDT

Hi all.

I'm having some problems in order to proper simulate some decalin and
cyclohexane derivatives with amber force field.

Does anybody knows about any reference where somebody performed simulations
with those systems? I'm having some problems with both densities and
intermolecular energies, but I'm not quite sure if it's source is on
simulation parameters choosen, a limitation on the basic models themselves
or in the derivations I've done.

Thanks a lot in advance,

Sincerally yours,

Jones

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