[gmx-users] hydrocarbons simulation

[saly jackson]

Dear all

Hope you are fine.

To define an alkane molecule such as hexane I have defined its bonds,
angles and cdihedrales according to amber forcefield. for non-bonded
interactions I also have defined LJ and Columbic pair potentials.
I am wondering if we need to consider special bonds for alkanes such as
n-hexane and n-decane?

-- 
Thanks  a lot for your attention,
Best Regards,
Saly



-- 
Thanks  a lot for your attention,
Best Regards,
Saly