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ywangd / mspms2

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Initialize mole_status for all molecules #37

Closed GoogleCodeExporter closed 9 years ago

GoogleCodeExporter commented 9 years ago 
Assume we have N molecules, these N molecules should have mole_status set
to NORMAL. Other molecules that fall into the category of NMOLE_MAX-N
should have mole_status set to UNINITD.

By doing this, we can initialize the bond, angle, dih, imp, nbp lists ONLY
for those UNINITD molecules.

Original issue reported on code.google.com by ywa...@gmail.com on 29 Dec 2007 at 2:00

GoogleCodeExporter commented 9 years ago 
Done. It is initialized in the first part of InitReplicateSamples().

Original comment by ywa...@gmail.com on 7 Jan 2008 at 6:48