[gmx-users] dppc simulation

Dinesh Pinisetty dpinis1 at lsu.edu
Sat Nov 6 22:10:22 CET 2004

Dear gromacs users,
        I am trying to simulate a system in which I had mixture of methanol
and water on either side of DPPC bilayer.I performed energyminimization and
then when I was trying to simulate the system I was gettimg ridiculous
result,a monolayer came closer to the other and then all the water and
methanol molecules spread away in the simulation box and then monolayer got
splitted into two halfs and what not,it was ridiculous to explain too,could
anyone guess where the major mistake might have beeen,I have used the same
input parameter file which I have used earlier for simulating water on
either side of the dppc bilayer.
  Any suggestion would be greatly appreciated........
Thanking you,

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