AMBER Archive (2005)

Subject: AMBER: Amber7 nmropt

From: Markus W. Germann (mwg_at_gsu.edu)
Date: Wed Feb 16 2005 - 15:09:08 CST

This is regarding the nmropt statement in Amber 7

We updated an older rdc restraints file from Amber 6 to 7 and 8.

By accident, I left nmropt=1 for an Amber 7 run, subsequently I rerun
this with nmropt=2 (as per manual)
The data from both runs are identical and both contain alignment
restraints.

Does anyone have any insights on this?

Tx

Markus W. Germann, Ph.D.
Department of Chemistry
Georgia State University
Phone: 404 651 1576

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