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MSD: increasing the length of the simulation
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Topic: MSD: increasing the length of the simulation (Read 801 times)
VaeS
Newbie
Posts: 1
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
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David Dubbeldam
Full Member
Posts: 132
Re: MSD: increasing the length of the simulation
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Reply #1 on:
July 06, 2019, 04:32:55 PM »
The simulation-length is set by specifying the NumberOfCycles (see the manual).
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MSD: increasing the length of the simulation