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root/group/trunk/OOPSE-4/samples/argon/argonNVT.in
Revision: 1490
Committed: Fri Sep 24 04:16:43 2004 UTC (19 years, 9 months ago) by gezelter
File size: 9514 byte(s)
Log Message:
Import of OOPSE v. 2.0

File Contents

# User Rev Content
1 gezelter 1490 108
2     0; 17.1431 0 0; 0 17.1431 0; 0 0 17.1431;
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Properties

Name Value
svn:executable *