[gmx-users] angle between two vectors

Teemu Murtola teemu.murtola at gmail.com
Tue Jul 21 13:48:35 CEST 2015


It's not clear from your question what you exactly want to calculate, but
g_sgangle (Gromacs 4.6 and earlier) and gmx gangle (Gromacs 5.0+) can
calculate angles between vectors. g_sgangle has somewhat limited
capabilities, but if you just want two vectors with endpoints at certain
atoms, it should do the trick.

Best regards,
Teemu

On Mon, Jul 20, 2015, 18:01 Natalia Alveal F. <nalveal at bio.puc.cl> wrote:

Dear Gromacs users,
with which tool of gromacs can compute the angle between two vectors of
different atoms number?
Thanks!


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