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quick fix to test atomistic systems

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Robin
2025-08-11 23:11:35 +02:00
parent 93d0625ca6
commit 22e12c05d2
11 changed files with 3101 additions and 17 deletions
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templates/4point.gro Executable file → Normal file
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templates/A.gro Normal file
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SOL tip4p/2005 t= 8254.00000 step= 4127000
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1SOL OW 1 1.982 1.987 2.025
4.00000 4.00000 4.00000

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templates/B.gro Normal file
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SOL tip4p/2005 t= 8254.00000 step= 4127000
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1SOL N 1 1.982 1.987 2.025
4.00000 4.00000 4.00000

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templates/bak.gro Executable file → Normal file
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templates/gro_atomistic.gro Normal file
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templates/single.gro Executable file → Normal file
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