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Input files and parameters / MSD: increasing the length of the simulation
« on: April 11, 2019, 01:45:53 PM »
Hi,
I try to simulate CO2 diffusion using MD in RASPA.
My simulation stops after a certain time (e.g. 100 ps), is there a way to increase the duration and reach e.g. 1000 ps or this is determined by the algorithm ?
Cheers,
Sebastien
I try to simulate CO2 diffusion using MD in RASPA.
My simulation stops after a certain time (e.g. 100 ps), is there a way to increase the duration and reach e.g. 1000 ps or this is determined by the algorithm ?
Cheers,
Sebastien