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Defining internal Gromos array dimensions
One change of this QM/MM interface code relative to the original
Gromos code is the ARRAYSIZES ... END ARRAYSIZES block
in the &QMMM section which allows to change the internal
array dimensions of the Gromos part dynamically. Previously one had
to change some include https and recompile everything to adapt the
code for a different size systems.
These settings have to be consistent during a series of calculations,
or else you may not be able to read your restart https correctly.
Costas Bekas
2008-09-04