parazue

Erro in Patching the file

3

PLUMED location: /usr/local/lib/plumed diff file: /usr/local/lib/plumed/patches/gromacs-2020.4.diff sourcing config file: /usr/local/lib/plumed/patches/gromacs-2020.4.config ERROR: Preliminary test not passed. It seems that this is not gromacs-2020.4, or you are in the wrong directory If...

Unable to execute

1

AutoDock-GPU version: v1.5-release Running 183279 docking calculations Cuda device: NVIDIA GeForce RTX 3080 Ti Available memory on device: 11411 MB (total: 12045 MB) CUDA Setup time 0.060360s Running Job #1:...