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Commit 2d099818 authored by Giovanni Bussi's avatar Giovanni Bussi
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Revert "Added regtest for pesmd"

@gtribello I have to revert this since it fails on travis.
Can you please fix it and add it again on v2.4 (then merge, as you did)?

Thanks!

This reverts commit ce4bbf4e.
parent a27d3486
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include ../../scripts/test.make
#! FIELDS time d1.x rr.bias rr.force2
0.000000 0.1000 0.0100 0.0400
0.005000 0.0993 0.0099 0.0394
0.010000 0.0989 0.0098 0.0391
0.015000 0.0984 0.0097 0.0387
0.020000 0.0986 0.0097 0.0389
0.025000 0.0985 0.0097 0.0388
0.030000 0.0985 0.0097 0.0388
0.035000 0.0981 0.0096 0.0385
0.040000 0.0980 0.0096 0.0384
0.045000 0.0976 0.0095 0.0381
0.050000 0.0965 0.0093 0.0373
0.055000 0.0951 0.0091 0.0362
0.060000 0.0938 0.0088 0.0352
0.065000 0.0916 0.0084 0.0336
0.070000 0.0894 0.0080 0.0320
0.075000 0.0882 0.0078 0.0311
0.080000 0.0877 0.0077 0.0308
0.085000 0.0878 0.0077 0.0308
0.090000 0.0874 0.0076 0.0306
0.095000 0.0868 0.0075 0.0301
0.100000 0.0860 0.0074 0.0296
0.105000 0.0856 0.0073 0.0293
0.110000 0.0847 0.0072 0.0287
0.115000 0.0841 0.0071 0.0283
0.120000 0.0837 0.0070 0.0280
0.125000 0.0828 0.0069 0.0274
0.130000 0.0817 0.0067 0.0267
0.135000 0.0801 0.0064 0.0256
0.140000 0.0777 0.0060 0.0242
0.145000 0.0764 0.0058 0.0233
0.150000 0.0755 0.0057 0.0228
0.155000 0.0743 0.0055 0.0221
0.160000 0.0727 0.0053 0.0212
0.165000 0.0723 0.0052 0.0209
0.170000 0.0717 0.0051 0.0206
0.175000 0.0713 0.0051 0.0204
0.180000 0.0709 0.0050 0.0201
0.185000 0.0713 0.0051 0.0203
0.190000 0.0718 0.0052 0.0206
0.195000 0.0717 0.0051 0.0206
0.200000 0.0719 0.0052 0.0207
0.205000 0.0722 0.0052 0.0209
0.210000 0.0724 0.0052 0.0210
0.215000 0.0726 0.0053 0.0211
0.220000 0.0727 0.0053 0.0211
0.225000 0.0730 0.0053 0.0213
0.230000 0.0738 0.0054 0.0218
0.235000 0.0747 0.0056 0.0223
0.240000 0.0754 0.0057 0.0227
0.245000 0.0767 0.0059 0.0236
0.250000 0.0768 0.0059 0.0236
type=plumed
arg="pesmd input.dat"
temperature 0.1
friction 0.1
tstep 0.005
dimension 1
nstep 50
ipos 0.1
periodic false
d1: DISTANCE ATOMS=1,2 COMPONENTS
rr: RESTRAINT ARG=d1.x AT=0.0 KAPPA=2
PRINT ARG=d1.x,rr.* FILE=colv FMT=%8.4f
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