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Martin Kurečka
Plumed AlphaFold
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19b9ccde
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Commit
19b9ccde
authored
10 years ago
by
Giovanni Bussi
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Added BIASVALUE to one test
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regtest/basic/rt23/plumed.dat
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@@ -11,8 +11,8 @@ dsz: MATHEVAL ARG=ds.a,ds.b,ds.c,cc.az,cc.bz,cc.cz VAR=sa,sb,sc,ca,cb,cc FUNC=sa
PRINT FILE=colvar ARG=dsx,dsy,dsz
# this is to test forces
RESTRAINT ARG=dc.x AT=0 KAPPA=0 SLOPE=1
BIASVALUE ARG=dc.x
# this should be equivalent
#
RESTRAINT ARG=dsx AT=0 KAPPA=0 SLOPE=1
#
BIASVALUE ARG=dsx
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