AMBER Archive (2009)

Subject: [AMBER] unit convertion for force constants

From: GÜL ALTINBAŞ (galtinbas_at_gmail.com)
Date: Mon Oct 12 2009 - 07:47:42 CDT

 Dear AMBER members,

I am trying to convert the units of force constants from mDyn/Å
to kcal/mol/Å2. Does anybody know how to do this? I found the
following equation from internet but I am not sure if it is true or not.

1 mdyne/A = 143.836 kcal/molA^2

Best regards
Guel 

-- 
Dr. Gül Altınbaş Özpınar
University of Marmara
Chemistry Department
Göztepe Campus 34722 Istanbul/Turkey

Universität Erlangen-Nürnberg
Computer-Chemie-Centrum
Nägelsbach str. 25 Erlangen/Germany
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