2024-09-13
Functional additions
In order to check the 3D image of the progress of MD calculation of a long number of steps using GROMACS, MD calculation of a long number of steps is automatically divided into multiple MD calculations and executed.
The MD calculation to be split is continued in the restart file. The number of splitting steps can be set in [Preference] – [1.Molecular Dynamics] (default 1000000).