[gmx-users] desciption of ffG43a1bon.itp

subarna thakur thakur.subarna at yahoo.co.in
Mon Aug 3 07:56:05 CEST 2009

In the file ffG43a1bon.itp, the bond parameters are given like this-
ICB(H)[N] CB[N] B0[N]
#define gb_1 0.     1000 1.5700e+07
; H - OA        750 
#define gb_2 0.     1000 1.8700e+07
; H - N (all)     895 
#define gb_3 0.    1090  1.2300e+07
; HC - C        700 
Can anybody please tell me, which one is is the force constant and which one is ideal bond length. For describing a new bond parameters , what the values 
I have to provide in the file ffG43a1bon.itp.
The ffG43a1bon.itp is not clearly described in the chapter5 of the manual of gromacs version4.

      Yahoo! recommends that you upgrade to the new and safer Internet Explorer 8. http://downloads.yahoo.com/in/internetexplorer/
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20090803/dcc827ee/attachment.html>

More information about the gromacs.org_gmx-users mailing list