[gmx-users] choice of forcefield

[Revthi Sanker]

Dear all,
I am a beginner to performing simulations and my system consists of protein+ cholesteryl ester +phospholipid and drug. Papers involving lipids are in general united atom, while those involving drug-protein systems are all-atom mostly. Kindly suggest me which of these, all-atom or united atom should I be using for my system.

Thanks for your help in advance
Yours sincerely,
Revathi
M.S. Research Scholar
Indian Institute of Technology,Madras
India