Distance between replicas with gmx genconf tool

User discussions
#1

GROMACS version: 2020.5
GROMACS modification: No
While using the gmx genconf to replicate a small cell to create a supercell, if I don’t use the -dist flag, what will be the distance between the replicas I create (I mean, default distance)? In my case, the molecules are not overlapping, so there is a distance, and I want to know how this tool evaluates the distance.

#2

There is no buffer distance. genconf simply translates coordinates the length of the relevant box vector supplied in the input coordinate file.

1 Like
#3

Thank you Prof. Justin. I got it now :-)