AMBER: output file format in SANDER.MPI & PMEMD

From: <>
Date: Thu, 28 Aug 2008 11:47:17 +0100

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

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Received on Sun Aug 31 2008 - 06:07:29 PDT
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