[gmx-users] g_hbond (method)

[Anil Kumar]

Dear all,

I would like to know the actual cut-off angle used by gromacs package to
calculate Hydrogen bond.

since in User manual of version 3.2 and earlier,  it was written

á equal to or lesser than áHB = 60 degree

While in User manual of version 3.3, it is mentioned as

á equal to or lesser than áHB = 30 degree

so,in actual whether program uses 30 degree or 60 degree in all versions
of GROMACS packages. I hope and believe that it (GROMACS) uses 30 degree
cut-off criteria for angle (standard and typical value).

Thanks in Advance,
With Regards,
Anil