Hello
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.
Subarna
Yahoo! recommends that you upgrade to the new and safer Internet Explorer
8. http://downloads.yahoo.com/in/internetexplorer/_______________________________________________
gmx-users mailing list gmx-users@gromacs.org
http://lists.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at http://www.gromacs.org/search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to gmx-users-requ...@gromacs.org.
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
