[gmx-users] Gromacs and solid state solutions

David van der Spoel spoel at xray.bmc.uu.se
Wed Sep 19 21:54:41 CEST 2001

On Wed, 19 Sep 2001, Thoms, Travis wrote:

>	I am interested in using Gromacs to study organic guest-host
>solid-state solutions.  Being very new to Gromacs (and solid state
>chemistry), I wanted to know if this was possible with Gromacs, and if you
>have any advice on how to do it.
What kind of potentials do you need? Do you mean things like crown-ethers

Groeten, David.
Dr. David van der Spoel, 	Biomedical center, Dept. of Biochemistry
Husargatan 3, Box 576,  	75123 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://zorn.bmc.uu.se/~spoel

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