[gmx-users] GROMOS bond-stretching parameters

Justin Lemkul jalemkul at vt.edu
Tue Nov 14 03:36:32 CET 2017



On 11/13/17 5:24 AM, Faezeh Pousaneh wrote:
> Hi,
> Unfortunately I do not find in Gromos literature what is the third number
> in front of
> bond stretching parameters, e.g 1200 below:
> :
>
> ; ICB(H)[N]    CB[N] B0[N]
> #define gb_5        0.1230  1.6600e+07
> ; C  - O        1200
>
> someone please tell me,

It's an integer code from the original GROMOS parameter files. Note that 
it is on a comment line and thus serves no function in GROMACS.

-Justin

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