Re:[gmx-users] GAMESS-US for Hybrid QM/MM ( gmx-users Digest, Vol 39, Issue 71 )

Hi All Is there any way to use gamess-us for Hybrid QM/MM calculation with Gromacs instead of using CPMD, GAMESS-uk or gaussion? Not yet, but feel free to write the interface code. I can help you link it all up once an interface code exists. You can either start from mdlib/qm

[gmx-users] GAMESS-US for Hybrid QM/MM

Hi All Is there any way to use gamess-us for Hybrid QM/MM calculation with Gromacs instead of using CPMD, GAMESS-uk or gaussion? Thanks Dhiraj <>___ gmx-users mailing listgmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/g