AMBER Archive (2007)

Subject: RE: AMBER: mm-pbsa error with nm = 1

From: Hayden Eastwood (s0237717_at_sms.ed.ac.uk)
Date: Wed May 02 2007 - 05:36:55 CDT

 
Dear Cenk and Urszula

I find that I get the "Param DIELC does not exist" error when both NM and MM
are set to 1. If my state is NM = 1, MM = 0 (or vice versa) everything seems
to run fine.

Is this a bug? Or is the combination of NM = 1, MM = 1 nonsensical for some
reason? (It would appear from the manual that they shouldn't be mutually
exclusive...)

Many thanks

Hayden Eastwood

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