GROMACS version:2016.3
GROMACS modification: Yes/No
Here post your question
I’m trying to perform a triplicate of my molecular dynamics simulation. I do know from where to initiate this. If anyone can help me, I’d really appreciate it!
One idea is to get different initial velocity by setting up the random seed value. But i like to do as follows
run a short MD, lets 10 ns. and extract frame from the trajectory lets, say 3,6,9 ns and equilibrate and run the production, that gives triplicate on different position.