[gmx-users] Re: Gromacs-CPMD: QMMM

. Any suggestions? I am running hybrid QM/MM with CPMD v3.15.1 and Gromacs 3.3.1. Thank you, Jacob Jantzi Graduate Student Molecular Biophysics and Structural Biology Program University of Pittsburgh - Carnegie Mellon >Hi Amit, >Please open epot.inc in SOURCE folder of CPMD-3.11.1, sear

[gmx-users] GROMACS+CPMD QM/MM

g the cpmd-specific gromacs version 3.3.1 (available at http://www.tougaloo.edu/research/qmmm/) with cpmd version 3.15.1. Thanks for any help you can provide! -Jacob Jantzi -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archi