Hello, everyone
I'm new at AMBER and i'm trying to do MD of a duplex in a box of water
molecules. When i heated my system from 300K
to 500K, the simulation stopped and the folowing message appeared:
EWALD BOMB in subrutine ewald_list
volume of ucell to big
So i would like to know if it is reasonable to do simulated annealing of
such system (with explicit waters) at all, and if so how can an ewald bomb
problem be avoided.
With best regards
Martin
Received on Wed May 16 2001 - 00:43:13 PDT
