GROMACS version: 2021.4
GROMACS modification: No
I remember that tbpconv module in old gromacs version can continue a simulation from any time point from a trr file, which preserved all the velocity and force information. However, I found that this function was removed in newer versions of gromacs. I am wondering if there is an alternative method to continue the simulation from the midway of a simulation (possibly from a trr file)?
I was preparing a bunch of initial configurations for a series of steered MD simulations. However, after I simulated a long trajectory with a trapping potential centered at the initial coordinate, I found that I cannot continue the simulation from the trr file with tbpconv command anymore. If this function was completely removed without any alternative, I ask if it’s possible to add this function back. It will be very useful in extracting configurations for preparing initial states for Umbrella sampling, fast protocol in Alchemy, and steered MD.