[gmx-users] Using higher precision with gmx distance and analyze

Irem Altan irem.altan at duke.edu
Wed Mar 22 21:17:20 CET 2017


I have some .gro files I generate from trajectories using the -ndec flag to print positions with higher precision (specifically, -ndec 14). I subsequently analyze these .gro files using gmx distance and gmx analyze. There doesn’t seem to be a similar -ndec flag for these commands, however. The .xvg files are printed out such that I get 3 digits after the decimal for distances in nanometer. Is there any way I can use these commands that carry out analyses with the same higher precision?


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