[gmx-users] How to calculate distance using gromacs?

Qinghua Liao scorpio.liao at gmail.com
Fri Feb 15 14:27:17 CET 2019


You can do it with gmx mindist, but first you need to make two index 
group of the two residues.

All the best,

On 2/15/19 2:16 PM, Edjan Silva wrote:
> Dear,
> I performed a 100 ns simulation with B-DNA.
> I want to know which gromacs option I can calculate the distance between
> two DNA residues (guanine 5 and ADENIN 6, for example) during the 100 ns of
> simulation.

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