[gmx-users] Strange behaviour of sorient.

Timofey Tyugashev tyugashev at niboch.nsc.ru
Fri Feb 19 13:34:25 CET 2016

Shifting to other topics. ;-)
I tried using gmx sorient as quick estimate for water presence around 
the specific atom.
I use -rmax 0.5 option to limit the radius to 5A, but the resulting 
scount.xvg file (number of molecules as function of r) contains data for 
up to 5 nm with step of 0.02 nm.
Is it working as intended? Is there any way to increase the resolution?

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