[gmx-users] .mdp files

subramaniam sivaraman bcbsiva at yahoo.co.in
Thu Sep 19 12:12:03 CEST 2002

  If I am interested in running the preprocessor
grompp, is it necessary for us to supply the
grompp.mdp file for that( since it is input, opt) and
I would like to know whether the grompp.mdp file can
be used along with any protein of our interest. Is it
the correct way to give grompp.mdp as input file and
generate for eg. x.mdp of our interest. Advance thanks
for the help. Also, please suggest how to generate the
full.mdp for the proteins of our interest.

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