Charlie Laughton

icon company University of Nottingham icon location Nottingham, UK

Results 12 comments of Charlie Laughton

Issue 1829

Thanks guys, it's been a pleasure to assist.

bond angle computation results in 'nan'

I can reproduce this error with a version of the .gro file with the formatting fixed (see https://manual.gromacs.org/archive/5.0.3/online/gro.html). I agree with @Enzymesf that it looks like the result of numerical...