GROMACS version: 2025
GROMACS modification: Yes
Here, post your question: I have run protein-ligand MD simulation for 500ns, but it ended before completion because of the power supply disruption. Now I want to perform analysis for only 200ns (md run was stopped at ~340ns). Please guide me if I can do such type of modification, if yes, then how?
Most gromacs functions should have the option to specify the times in the simulation which the function is being applied to, usually -b and -e to specify the beginning and end frames (for example, see the documentation for gmx trjconv), if you check the documentation for whichever function you’re trying to use, there should be similar instructions
Thank you so much, I will try it.