[gmx-users] ATP/ADP topology for OPLS

Thorsten Kampmann tkampma at gwdg.de
Mon Dec 4 13:25:15 CET 2006

Hello gmxlers,

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 mailing list