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OOPSE-4
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samples
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alkane
/
butane.md
Revision:
1490
Committed:
Fri Sep 24 04:16:43 2004 UTC
(19 years, 11 months ago) by
gezelter
File size:
202 byte(s)
Log Message:
Import of OOPSE v. 2.0
File Contents
#
User
Rev
Content
1
gezelter
1490
#include "alkanes.md"
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nComponents = 1;
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component{
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type = "butane";
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nMol = 32;
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}
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initialConfig = "./butane.in";
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dt = 1.0;
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forceField = "DUFF";
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ensemble = NVE;
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runTime = 10000.0;
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sampleTime = 10.0;