[gmx-users] histogram of distance between similar molecules
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.
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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