mirror of
https://github.com/dnlbauer/WHAM.git
synced 2026-09-10 14:15:31 +00:00
add pi to min/max
This commit is contained in:
Daniel Bauer
@@ -1,7 +1,7 @@
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Example data: Dialanine torsion angle at 300K
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wham.out was produced with the folling settings:
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wham --max 3.14 --min -3.14 --cyclic\
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wham --max pi --min -pi --cyclic\
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--bins 100 \
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-T 300 \
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-f metadata.dat \
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@@ -1,101 +1,101 @@
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#coord1 Free Energy +/- Probability +/-
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3.110177 9.065722 0.000000 0.001626 0.000000
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@@ -1,7 +1,7 @@
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Example data: Dialanine torsion angles at 300K
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wham.out was produced with the folling settings:
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wham --max 3.14,3.14 --min -3.14,-3.14 --cyclic\
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wham --max pi,pi --min -pi,-pi --cyclic\
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--bins 100,100 \
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-T 300 \
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-f metadata.dat \
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File diff suppressed because it is too large
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