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.
________________________________________________________________________
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
[EMAIL PROTECTED] [EMAIL PROTECTED] http://folding.bmc.uu.se
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