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Commit 2c46fca5 authored by Giovanni Bussi's avatar Giovanni Bussi
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Added doc about mawk (see #536)

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scripts/partial_tempering.sh
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...@@ -35,6 +35,9 @@ plumed partial_tempering \$scale < processed.top > topol\$i.top ...@@ -35,6 +35,9 @@ plumed partial_tempering \$scale < processed.top > topol\$i.top
WARNING: It's not very robust and there might be force-field dependent issues! WARNING: It's not very robust and there might be force-field dependent issues!
A few tests are strongly suggested. A few tests are strongly suggested.
WARNING: This script only works if the `awk` command in your system corresponds to
GNU awk. `mawk`, that is the default on Ubuntu 19, does not work correctly.
1. Compare partial_tempering with scale=1.0 to non-scaled force field. E.g. 1. Compare partial_tempering with scale=1.0 to non-scaled force field. E.g.
grompp -o topol-unscaled.tpr grompp -o topol-unscaled.tpr
grompp -pp grompp -pp
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