AMBER: replica exchange problems with ifort >10.0.023

From: Peter Varnai <p.varnai.sussex.ac.uk>
Date: Sat, 10 Nov 2007 16:44:30 +0000 (GMT)

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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Received on Sun Nov 11 2007 - 06:07:58 PST