[gmx-users] Diffusion

David van der Spoel spoel at xray.bmc.uu.se
Fri Mar 22 21:47:35 CET 2002

On Fri, 22 Mar 2002, Nguyen Hoang Phuong wrote:

>Dear All,
>I'm simulating a system of argon atoms using GROMACS. I would like to
>calculate the diffusion coefficient by using Einstein relation. Has anyone
>done this? If so, please tell me how to do that. Thanks in advance.

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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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