AMBER Archive (2008)

Subject: AMBER: output file format in SANDER.MPI & PMEMD

From: fatima.chami_at_durham.ac.uk
Date: Thu Aug 28 2008 - 05:47:17 CDT

Dear All,

I run Umbrella sampling simulation in both SANDER.MPI and PMEMD. I realized that
the values of the restraint are different (diff. range 0.05 - 1.00) although the
simulation system is literally the same.

I suspect this to be inherent to SANDER and PMEMD numerical implementation

best wishes
Fatima

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