Error when reading user data with 3D AWH simulations
Summary
AWH simulations with 3 dimensions (or maybe more) cannot read user data input XVG files.
GROMACS version
2022, 2023
Steps to reproduce
gmx mdrun -v -deffnm awh -nb cpu -bonded cpu -pme cpu -ntmpi 1 -awh awh_t0.xvg
See details in the attached README file. awh_3d_userdata.zip
What is the current bug behavior?
Error in user input: Could not extract data properly from awh_t0.xvg. Wrong data format?
Edited by Yuxuan Zhuang