[gmx-users] Different LJ interaction types at the same time?

Shavkat Mamatkulov shavkat at theorie.physik.uni-muenchen.de
Wed Jun 4 22:09:01 CEST 2003

Dear Gromacs users,

i am going to use different types of the LJ interaction potential in my
simulations on hydrophobic objects in water. For example
to mimic a hydrophobic wall
-water interaction  it is accepted to use LJ(9-3) potential, but keeping
water-water interaction  as LJ(12-6) at the same time. Is it possible
to do this in gromacs, some how changing parameters in mdp file?

Can anyone suggest me how it can be done.

Thank you in advance,

Dr. Shavkat Mamatkulov
Sektion Physik,
LMU Theresienstr. 37, 80333
Tel: 49-89-2180 4596
Fax: 49-89-2180 4517
shavkat at theorie.physik.uni-muenchen.de

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