AMBER Archive (2005)

Subject: AMBER: non-periodic condition

From: gsciaini (gsciaini_at_qi.fcen.uba.ar)
Date: Thu Feb 03 2005 - 10:40:46 CST

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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