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Martin Kurečka
Plumed AlphaFold
Commits
9a931b9f
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Commit
9a931b9f
authored
10 years ago
by
Giovanni Bussi
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Merge branch 'v2.0'
parents
a24acd8a
cae26b19
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CHANGES/v2.0.txt
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CHANGES/v2.0.txt
regtest/basic/rt28/plumed.dat
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regtest/basic/rt28/plumed.dat
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CHANGES/v2.0.txt
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9a931b9f
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@@ -111,8 +111,8 @@ For users:
- Now compiles on Blue Gene Q with IBM compilers.
- Fixed bug in \ref CENTER where default WEIGHTS were missing.
- Several small fixes in documentation and log file.
- Fixed broken CONTACTMAP with SUM
- Added CMDIST in CONTACTMAP to emulate plumed1 CMAP.
- Fixed broken
\ref
CONTACTMAP with SUM
- Added CMDIST in
\ref
CONTACTMAP to emulate plumed1 CMAP.
For developers:
- Fixed cmd("getBias") to retrieve bias. It was not working with
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regtest/basic/rt28/plumed.dat
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@@ -31,7 +31,7 @@ LABEL=c
PRINT ...
ARG=a,b,c.contact1,c.contact5
FILE=
COLVAR
FILE=
colvar
... PRINT
DUMPDERIVATIVES ARG=a,b FILE=deriv FMT=%8.6f
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