Molecular Dynamics Simulations
- From: Demetrio Antonio da Silva Filho <dasf $#at#$
u.arizona.edu>
- Subject: Molecular Dynamics Simulations
- Date: Fri, 03 Aug 2001 10:07:26 -0700
Dear CCL'ers,
I want to find software that can be used in molecular dynamic
simulations of organic molecules and polymers containing aromatic
groups.
It would be really nice if this software lets me introduce the
developments that several
groups are doing on that field. For example, I have an
article in my hands by Smith et al (G. D. Smith and R. L. Jaffe, J. Phys.
Chem. 1996, 100, 9629-9630) where I find force field parameters for
Benzene and I would like to
have the possibility to introduce those parameters in such a software in
order to simulate a benzene crystal.
Thanks for your help and I will sumarize the answers.
Demetrio Filho