Hello everybody,
I have a big problem using Sander. I want to start a MD-Simulation with
ipol=1 and ew_type=1. This combination produces an error like "Floating
point exception". I use different inp.crd and prmtop files, but it
crashes every time. If I use ipol=0 oder ew_type=0, then it works fine
and I get no errors. I want to use the Ewald summation because I want to
reproduce data which are produced with these parameters. Is this kind of
error known? Thanks for your help.
Kind regards,
Volker Lesch
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Received on Thu Feb 23 2012 - 06:30:03 PST
