Hello! everyone , I am new to CVHD. I encounter some difficult problems, may I ask you for advice? (The attachment is the out.colvars.traj file)
The out.colvars.traj file obtained by lammps running the CVHD method through the modified colvars module, the first line of the content is 'step', 'coord', and 'E_hd'. I originally thought that the 'coord' parameter represented the global collective variable(cv) η mentioned in the paper, but I found that its value gradually increased from e-01 to e+02 . What is the explanation of the coord parameter? How does this parameter relate to the global collective variable η mentioned in the paper? (or how to get the η value)
Thank you very much for help!
1.txt
Hello! everyone , I am new to CVHD. I encounter some difficult problems, may I ask you for advice? (The attachment is the out.colvars.traj file)
The out.colvars.traj file obtained by lammps running the CVHD method through the modified colvars module, the first line of the content is 'step', 'coord', and 'E_hd'. I originally thought that the 'coord' parameter represented the global collective variable(cv) η mentioned in the paper, but I found that its value gradually increased from e-01 to e+02 . What is the explanation of the coord parameter? How does this parameter relate to the global collective variable η mentioned in the paper? (or how to get the η value)
Thank you very much for help!
1.txt