[gmx-users] angle-dependent radial distribution function -- documentation problem, or how?

David Mobley dmobley at gmail.com
Wed Mar 28 23:31:56 CEST 2007


Page 160-161 of the GROMACS 3.3 manual discusses how it is possible to
use g_rdf to calculate an angle-dependent radial distribution
function. However, neither the in-manual documentation for g_rdf, nor
g_rdf -h, explains how this angle-dependent option can be used (i.e.,
how does one specify the angles to consider, and turn on this

I've searched the users' list and found several recent e-mails
inquiring about this; in one case the user was referred to a SDF tool
without any explanation of whether g_rdf can do this. In another
(older) case from 2003, the user was told that the ability is no
longer in GROMACS.

My question: Is the 3.3 manual in error when it says that g_rdf can do
this? If not, how do I use g_rdf in this manner?

David Mobley

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