[gmx-users] itp file - number of function

[Victor Rosas Garcia]

If you mean more than one term for a single dihedral, that would require
function type 9 (see section 4.2.12 in the manual).  Otherwise, if you
specify a single dihedral more than once with different function type each
time, I'm not sure what GROMACS would do.

Hope this helps.

Victor

2015-08-17 1:49 GMT-05:00 Mehrnoosh Hazrati <mehrnoosh.hazrati at modares.ac.ir
>:

> Dear all,
>
> hi
>
> in the case of writing the .itp file, is it correct to use different
> functions type for dihedrals?!
>
> Thanks you in advance
>
> Best Regards
> Mehrnoosh
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