I am running QM/MM simulations using Amber with iwrap=1. It was running
successfully, but when I restart the program, the program crashes because
of QM/MM region is too large. I believe this should be caused by iwrap
option. If iwrap=0, this problem will disappear, but my question is that if
there is any way to deal with the problem when still using iwrap=1.
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Received on Thu Mar 14 2013 - 08:00:03 PDT
