AMBER Archive (2008)

Subject: Re: AMBER: Improper dihedral parameters

From: Bill Ross (ross_at_cgl.ucsf.edu)
Date: Tue May 06 2008 - 14:23:55 CDT

> >From GROMOS
> IMPROPER DIHEDRAL
> #define gi_1 0.0 167.42309
> planar group 40
>
>
> TO AMBER
> IMPROPER
> ca-ca-ca-ne 40.05 180.0 2.0
>
>
> 167.42309kJ/mol=40.05 kcal/mol
> Could anyone tell me if the two set of the force field parameters are the same?
 
A side issue: the amber dihedral will be applied to all places
where a ca is surrounded by ca,ca,ne. I'm not sure if the gromos
improper is applied the same way.

Bill
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu