AMBER Archive (2007)

Subject: AMBER: replica exchange problems with ifort >10.0.023

From: Peter Varnai (p.varnai_at_sussex.ac.uk)
Date: Sat Nov 10 2007 - 10:44:30 CST


Hi,

I had problems running replica exchange with binaries compiled with
intel version >10.0.023. the problem seemed to be a wrong first
coordinate swapping of hydrogens causing vlimit problems. this is
quite strange but the same source + input works fine compiled with
ifort 9.0.033.

Peter
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