[gmx-users] Format of bond type directives

[Rajan Kumar]

Hi all,

I am using g_x2top to create topology for my system.

After creating topology file, I see
[ bonds ]
;  ai    aj funct            c0            c1            c2            c3
    1     3     1  1.420000e-01  4.000000e+05  1.420000e-01  4.000000e+05
    1     4     1  1.420000e-01  4.000000e+05  1.420000e-01  4.000000e+05
    1     5     1  1.390000e-01  4.000000e+05  1.390000e-01  4.000000e+05
    2     3     1  1.420000e-01  4.000000e+05  1.420000e-01  4.000000e+05
    2     9     1  1.420000e-01  4.000000e+05  1.420000e-01  4.000000e+05
------------------------------------------------------------------------------

Please help me understand this format, as the manual explain these
directive written as something like this:

[ bonds ]
; ai    aj    funct      b0        kb
    1    3    1   0.14310    376560
    1    2    1   0.14310    376560
    2    4    1   0.15230    376560

-- 
Rajan Kumar
Indian Institute of Technology, Guwahati