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1a4353b9

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Commit 1a4353b9 authored 12 years ago by Giovanni Bussi

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Updated regtest to read from gro file

parent 1cc26e87

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regtest/rt54/config 1 addition, 1 deletion

regtest/rt54/config
regtest/rt54/helix-nm.xyz.reference 1583 additions, 1583 deletions

regtest/rt54/helix-nm.xyz.reference
regtest/rt54/helix-sub.gro.reference 3 additions, 3 deletions

regtest/rt54/helix-sub.gro.reference
regtest/rt54/helix-sub.xyz.reference 156 additions, 156 deletions

regtest/rt54/helix-sub.xyz.reference
regtest/rt54/helix.input.gro 1620 additions, 0 deletions

regtest/rt54/helix.input.gro
regtest/rt54/helix.reference 1583 additions, 1583 deletions

regtest/rt54/helix.reference
regtest/rt54/helix.xy.reference 1583 additions, 1583 deletions

regtest/rt54/helix.xy.reference
regtest/rt54/helix.xyz.reference 1583 additions, 1583 deletions

regtest/rt54/helix.xyz.reference

with 8112 additions and 6492 deletions

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