[gmx-users] interface between Gromacs & CPMD
yayan at chemie.fu-berlin.de
Fri Jan 25 10:46:46 CET 2008
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.
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