AMBER: DRMS setting for Nmode calculation

From: Shuting Wei <>
Date: Thu, 07 Dec 2006 15:46:54 -0500

Dear All,

When i tried to use mm_pbsa for the binding energy calculation, i
have no idea about the DRMS value.

In the amber9/src/mm_pbsa/Examples/, DRMS = 0.0001, although NM=0

In the amber9/src/mm_pbsa/Examples/04_MMPBSA_Nmode/, DRMS =
0.1, this time NM=1

Which value should i use?



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Received on Fri Dec 08 2006 - 16:23:18 PST
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