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RASPA => Input files and parameters => Topic started by: VaeS on April 11, 2019, 01:45:53 PM

Title: MSD: increasing the length of the simulation
Post by: VaeS 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
Title: Re: MSD: increasing the length of the simulation
Post by: David Dubbeldam on July 06, 2019, 04:32:55 PM
The simulation-length is set by specifying the NumberOfCycles (see the manual).
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