Hi David,
Thanks for your email. But then what is the purpose of option like gb_algorithm, nstgbradii =1 etc. Is there any way I can do implicit solvent simulation using any other interface?
Thanks,

 Jagannath

On Apr 12, 2007, at 5:06 PM, David van der Spoel wrote:

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.


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David.
______________________________________________________________________ __
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
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