[gmx-users] DPPC question

[Ramachandra Rao Gullapalli]

Dear users
I have question regarding using the dppc.itp and lipid.itp files from Dr
Tieleman s website. In the .top file i #include ffgmx.itp,dppc.itp and
lipid.itp.
My question is, i noticed the charges on the atoms in the "ffgmx.rtp dppc"
molecule and "dppc.itp" molecule are different. So which of the charges are
taken into consideration during the actual simulation?

Thanks
Rama






The important thing is not to stop questioning. Curiosity has its own reason for existing...
-Einstein