Hi amber users,
I am trying to run a MD (a solute and 200 ammonia molecules) without
periodic condition and the Epot fluctuate a lot, between 1500 and
-1500Kcal/mol !!!
Does someone know this problem?
If I put periodic condition the MD is good...
Thanks in advance
G
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Received on Thu Feb 03 2005 - 16:53:01 PST
