[gmx-users] Solvation Implicit

Justin A. Lemkul jalemkul at vt.edu
Wed Jul 29 22:55:07 CEST 2009

Luis Paulo wrote:
>     Hi,
>     How do I do to claculate a MD with implict solvation in the Gromacs ?

Implicit solvent will be officially implemented in version 4.1; I believe some 
progress has been made in the development versions, but a developer would have 
to comment on its functionality.


>     Thanks
>     -- 
>     Prof. Dr. Luis Paulo Scott
>     CMCC- Centro de Matemática, Computação e Cognição
>     Universidade Federal do ABC
>     Grupo de Pesquisa em Biologia Computacional


Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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