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Commit c4e481ab authored by Giovanni Bussi's avatar Giovanni Bussi
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Regtest for CENTER MASS

parent 36978bd3
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#! FIELDS time d
0.000000 1.891849
0.050000 1.893232
0.100000 1.891007
0.150000 1.877920
0.200000 1.845063
# this is just to check if charges are read properly from mc file
DUMPMASSCHARGE FILE=mcnew
c1: CENTER MASS ATOMS=1-10
c2: CENTER MASS ATOMS=11-20
d: DISTANCE ATOMS=c1,c2
PRINT ARG=d FILE=colvar
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