[gmx-users] option -r2 on g_hbond, a third HB citerion?
Mark.Abraham at anu.edu.au
Wed Jan 18 12:39:13 CET 2012
On 18/01/2012 8:35 PM, Mr Bernard Ramos wrote:
> Hi everyone!
> On this page
> there is an option -r2 when using g_hbond. What is this r2? I can't
> find it in the Gromacs manual. option -a is the angle H-O-O, option -r
> is the O-O distance which can be switched to H-A by using the "-da
> no". Need help on what is -r2 (could this be for specifying a third
> criterion for the for distance O-H in addition to the angle cut-off
> and O-O distance cut-off
Apparently nobody knows. Someone will need to look in the code to find
out - probably you :-). Good luck!
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