Team:NWU-China/Future Work


GROMOSNWU

We modify some parameters,since the origin parameters relative to dppc is incomplete and invaild in our using.

-atomtypes.atp
-aminoacids.rtp
-ffnonbonded.itp

We add new information of lipid and dppc .

-dppc.itp
-lipid.itp

The new parameter cannot fit the set of Gromacs and its forcefield,and may lead to a non-integer charge.we generated a dummy-ion(ionptest) to balance the charge.
The dummy-ion has the mass of 1, and the charge as we set.
-atomtypes.atp
-aminoacids.rtp
-ions.itp