[gmx-users] interface between Gromacs & CPMD

[Yunan Yan]

Dear All,

When I try to simulate a QMMM problem with
Gromacs/CPMD, the program will stop at the
interface "INTERFACE| WAIT FOR CONTINUE-FILE"
for all night long. The gromacs part cannot
do its part to touch the QMCONTINUE file very well.

Is it normal or problematic?
Thanks a lot for your attention and
your helps in advance.

Best
Yun-an