[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:
> Hi,
>      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 
> command:
>     touch grompp
>         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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