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

From: Cenk Andac <cenk_andac.yahoo.com>
Date: Wed, 2 May 2007 03:50:47 -0700 (PDT)

Hi Hayden,
well, it sounds like there still exist a problem in your input file. I can't be of much help at this moment without seeing how you set up your input parameters last time. Could you possibly paste them in your next E-Mail message?

regards,

jenk.

Hayden Eastwood <s0237717.sms.ed.ac.uk> wrote:
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



       
---------------------------------
Ahhh...imagining that irresistible "new car" smell?
 Check outnew cars at Yahoo! Autos.
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Sun May 06 2007 - 06:07:04 PDT
Custom Search