VMD-L Mailing List

From: MD Simulation (mdsimulationgroup_at_gmail.com)
Date: Wed May 27 2020 - 19:40:26 CDT

Hello,

Does measure gofr no work for non-orthogonal simulation cells? I tried it
on a box with pbc cell:

pbc get --> {4.746000 4.746000 13.081000 90.000000 90.000000 120.000000}

and I got the error "measure gofr: error during g(r) calculation."

Thanks for the help,
Stacey