[gmx-users] histogram of distance between similar molecules

Justin Lemkul jalemkul at vt.edu
Fri Jul 6 13:47:33 CEST 2018

On 7/6/18 4:30 AM, Srinivasa Ramisetti wrote:
> Dear Gromacs users,
> I would like to know which tool (gmx distance or gmx pairdist) can be used to get a histogram (showing probability distribution function) of the centre of mass distance between similar molecules (14 molecules in total) for a range of time steps.

gmx distance -oh



Justin A. Lemkul, Ph.D.
Assistant Professor
Virginia Tech Department of Biochemistry

303 Engel Hall
340 West Campus Dr.
Blacksburg, VA 24061

jalemkul at vt.edu | (540) 231-3129


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