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Fixed tests
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I removed some old stuff (amber directory) from tests.
I also replaced the example plumed.dat files with something
that should work (syntax was very old).
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GiovanniBussi committed Apr 23, 2013
1 parent 11fff7d commit 7c45903
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Showing 7 changed files with 2 additions and 293 deletions.
6 changes: 0 additions & 6 deletions test/amber/.gitignore

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11 changes: 0 additions & 11 deletions test/amber/amber_input

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4 changes: 0 additions & 4 deletions test/amber/plumed.dat

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13 changes: 0 additions & 13 deletions test/amber/system.inpcrd

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232 changes: 0 additions & 232 deletions test/amber/system.prmtop

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1 change: 0 additions & 1 deletion test/gromacs/plumed.dat
Original file line number Diff line number Diff line change
@@ -1,4 +1,3 @@
LOAD ../../extensions/libplumedExtensions.dylib
c: DISTANCE ATOMS=1,10
PRINT ARG=c FILE=ooo
METAD ARG=c SIGMA=0.1 HEIGHT=1.0 PACE=10 RESTART
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28 changes: 2 additions & 26 deletions test/namd/plumed.dat
Original file line number Diff line number Diff line change
@@ -1,30 +1,6 @@
DISTANCE ATOMS=0,21 LABEL=C1 COMPONENTS
VOLUME LABEL=vol
ENERGY LABEL=ene
c1: DISTANCE ATOMS=1,10

COMBINE LABEL=x ARG=C1.x,C1.y,C1.z POWERS=2,2,2
COMBINE LABEL=xx ARG=x POWERS=0.5

#RESTRAINT ARG=C1 AT=1.1 KAPPA=10000.0

#MOVINGRESTRAINT ARG=ene AT0=-8525.08 KAPPA0=0.024 AT1=-8000 STEP0=0 STEP1=10000
#RESTRAINT ARG=ene AT=-8525.08 KAPPA=-0.0002 STRIDE=2

RESTRAINT ARG=C1 AT=0.4 KAPPA=1000.0

#RESTRAINT ARG=vol AT=6.8 KAPPA=100.0

FLUSH STRIDE=100

PRINT ARG=C1,vol,ene,C1.x,C1.y,C1.z STRIDE=1 FILE=COLVAR

##PRINT ...
## ARG=*.*
## STRIDE=10
## FILE=COLVAR_ALL
##... PRINT

DEBUG logActivity
PRINT ARG=c1

ENDPLUMED

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