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Martin Kurečka
Plumed AlphaFold
Commits
c09e7e69
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Commit
c09e7e69
authored
6 years ago
by
Giovanni Bussi
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changelog
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@@ -131,3 +131,5 @@ Changes from version 2.4 which are relevant for developers:
...
@@ -131,3 +131,5 @@ Changes from version 2.4 which are relevant for developers:
Fixes done after beta (this list will be merged to the one above):
Fixes done after beta (this list will be merged to the one above):
-
(developers) Using CXX compiler to link the main program.
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(developers) Using CXX compiler to link the main program.
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added API to set the number of used openMP threads from the linked code, updated gromacs 2018.3 patch to use it
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added API to set the number of used openMP threads from the linked code, updated gromacs 2018.3 patch to use it
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(users) Fixed sign in Cartesian components of
\r
ef PUCKERING with 6 membered rings (thanks to Carol Simoes and Javi Iglesias).
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