[gmx-users] Contact maps using COM distance

Roshan Shrestha roshanpra at gmail.com
Wed Dec 20 03:44:01 CET 2017

I used gmx mdmat in gromacs to create contact maps, but it seems that the
mdmat gives the minimum average distance rather than the average
centre-of-mass distance. Is there any way to get COM distance in gmx mdmat ?

Roshan Shrestha
M.Sc (Physics)
Central Department of Physics, Tribhuvan University
Kathmandu, Nepal

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