[gmx-users] ATP/ADP topology for OPLS
tkampma at gwdg.de
Mon Dec 4 13:25:15 CET 2006
I am searching OPLS topologies files for ADP or ATP. Unfortunately I
found only ADP / ATP topologies for amber94/99 G53a5/a6 or older
forcefields; however I would prefer to use the OPLS forcefield.
Does anyone have an ADP.itp file for OPLS? Or alternatively does someone
have experimental data for ADP/ATP and knows how to calculate the
charges of ADP/ATP according to the OPLS forcefield?
More information about the gromacs.org_gmx-users