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Hello Mehdi,

The random number generator used in the current version of DL_POLY_4 is the saru random number generator of Steve Worley as published in Comp. Phys. Comms. 184 (2013) 1119-1128. Think of the three integer seeds as a 3D vector components. Different triplets will generate different random number sequences.

While you will generate different velocity fields with different random number generator seeding, the same CONFIG file will mean the same positions. Hence, your conservative force field will generate the same forces for the three different seedings. It is only the stochastic components of the force-field, if such exist, that will be different.

Regards,

Ilian Todorov

-----Original Message-----
From: DL_POLY Mailing List <[log in to unmask]> On Behalf Of Mehdi Zare
Sent: 30 May 2019 22:12
To: [log in to unmask]
Subject: Seed n1 n2 n3 option in CONTROL file

Hello everyone,

I am going to use the same CONFIG file with only coordinates and run 3 independent simulation. I know that I can do it by defining different random initializing forces and velocities. From the manual, it needs to be done by 'seed n1 n2 n3' in control file, but it is not explained what these n1, n2, and n3 are. I really appreciate if someone could tell me what these variables are?

Thanks,
Mehdi

Mehdi Zare
Graduate Research Assistant
Chemical Engineering Department
University of South Carolina
Swearingen Engineering Center, Room 2B33
301 Main Street, Columbia SC 29208
Tel. (803) 629 5260
Email: [log in to unmask]

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