AMBER Archive (2008)

Subject: Re: AMBER: Help with NMODE

From: David A. Case (
Date: Sun May 04 2008 - 20:26:07 CDT

On Sun, May 04, 2008, Seth Lilavivat wrote:

> The results that I am reporting are after I set scee = 1.2

Are the two results excactly 20% different? Are you sure that you "setting"
of scee=1.2 is being recognized by the program? Posting actual inputs and
outputs would help: take the same starting structure and run one step of
minimzation in both programs.

Also, I don't recall getting the answer to the question of what version of
Amber you are using (maybe I missed it). I ask because the error messages you
are reporting don't seem to correpond to the codes I have looked at.


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