runaway minimizations

From: Bennion, Brian (
Date: Thu Feb 20 2014 - 12:06:54 CST


I also noticed that there a many ions that are outside of the water box boundaries. This may not mean anything for this particular problem but it will not be good for the system as it is prepared for production simulations.


This archive was generated by hypermail 2.1.6 : Thu Dec 31 2015 - 23:20:32 CST