[gmx-users] what are the options for implicit solvent in Gromacs?
David van der Spoel
spoel at xray.bmc.uu.se
Fri Apr 13 00:06:42 CEST 2007
Jagannath Mondal wrote:
> I am trying to learn how to use implicit solvent model for PMF
> calculation. For that ,I wanted to know what are the options for
> implicit solvent present in gromacs. But I could not find any
> documentation regarding that. I searched mailing list and found that
> there has been some query on the documentation but I could not find any
> suitable reply. In one of the reply, David suggested using following
> touch grompp
> But it does not show all the available option for implicit solvent
> model gromacs has got. it shows implicit solvent= no.
> There were some older mail (before 2006) where it was said that
> gromacs has not gor implicit solvent model. But I hope that latest
> version has got implicit solvent model. Can anyone suggest any
> documentation where I can find the availble options for implicit solvent
> model as well as the other options for Generalized Born model?
> Thanks in advance,,
> Yours sincerely,
sorry. no implicit solvent.
> Jagannath Mondal
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David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
spoel at xray.bmc.uu.se spoel at gromacs.org http://folding.bmc.uu.se
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