[gmx-users] Fw: add parameter

Mahnaz Mirsoltani mirsoltanim at yahoo.com
Tue Feb 9 23:04:57 CET 2016

--- On Wed, 2/10/16, Mahnaz Mirsoltani <mirsoltanim at yahoo.com> wrote:

> From: Mahnaz Mirsoltani <mirsoltanim at yahoo.com>
> Subject: add parameter
> To: gmx-users at gromacs.org
> Date: Wednesday, February 10, 2016, 1:14 AM
> Hi
> 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"? 
> Thanks
> Mah

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