[gmx-users] dihedraltypes for Octane vs Decane

[Yinan Hu]

Dear all,

I am trying to use Ryckaert-Bellemans Dihedrals for Octane. The
problem isthat I do not find any reference about c0,
c1, c2, c3, c4,c5 I should use for octane.

I know those values for Decane are
[ dihedraltypes ]
  CH2  CH2   3   9.2789   12.156  -13.120 -3.0597 26.240 -31.495

So my question is if I can directly use the same values above and apply it to
octane? How those values change as alkane type change?

Thanks!

Yinan