[gmx-users] GROMOS bond-stretching parameters

[Justin Lemkul]

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

-- 
==================================================

Justin A. Lemkul, Ph.D.
Assistant Professor
Virginia Tech Department of Biochemistry

303 Engel Hall
340 West Campus Dr.
Blacksburg, VA 24061

jalemkul at vt.edu | (540) 231-3129
http://www.biochem.vt.edu/people/faculty/JustinLemkul.html

==================================================