[gmx-users] add parameter

Mahnaz Mirsoltani mirsoltanim at yahoo.com
Tue Feb 9 23:07:55 CET 2016

 I want to add some bond parameters in ffbonded.itp file, and
as I read in manual, unit of "kb" is "kj.mol-1.nm-2" and
 unit of "b0" is "nm". But I have these quantities with
 "kcal.mol-1.Å-2" and "Å". How do I convert these? Is it
enough converting of kcal/mol to kj/mol for "kb" and "Å" to
 'nm" for "b0"? 

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