Checkpoint files opens too early for writing
Hello!
Checkpoints file (*.chk and *.progress) opens for the first time for writing in cmdock.cxx at line 859:
std::ofstream checkpointFile;
checkpointFile.open(strRunName + ".chk");
std::ofstream fraction_done_filename;
fraction_done_filename.open(strRunName + ".progress");
But this immediately erases their contents. If restarted computations suspended are paused shortly after restart and not an any ligand has time to be processed, files remains empty and next restart begins from first ligand. Files *.chk and *.progress should be opened for writing at section "Update checkpoint file contents" at line 793.
Thank you!