[gmx-users] Brefeldin A and GDP parameters

[Jeremy T First]

Hello all,

Has anyone parameterized Brefeldin A or GDP for Amber force fields? I wish
to simulate a protein with BFA and GDP as ligands, but have so far been
unable to find parameters for these molecules.

I have a procedure to do so using RED and Gamess, but understand this is a
difficult process and would prefer to use parameters already out there if
they exist.


Best,

Jeremy