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Commit ef584bc2 authored by carlocamilloni's avatar carlocamilloni
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Merge branch 'v2.4'

parents ff6ab64b b4ec0d03
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......@@ -14,6 +14,7 @@ RESTRAINT ARG=csa AT=0 KAPPA=0 SLOPE=1.0
PRINT ARG=csa,(cs\.ca_.*),(cs\.cb_.*),(cs\.hn_.*),(cs\.nh_.*),(cs\.expca_.*),(cs\.expcb_.*),(cs\.exphn_.*),(cs\.expnh_.*) STRIDE=1 FILE=colvar FMT=%8.4f
PRINT ARG=ens.* STRIDE=1 FILE=ecolvar FMT=%8.4f
PRINT ARG=st.sqdevsum,ste.corr FILE=stat STRIDE=1
#csn: CS2BACKBONE ATOMS=1-2612 DATADIR=../data/ TEMPLATE=template.pdb NEIGH_FREQ=1 NOPBC CAMSHIFT NUMERICAL_DERIVATIVES
#DUMPDERIVATIVES ARG=csa,csn FILE=derivatives1 FMT=%8.2f STRIDE=1
#! FIELDS time st.sqdevsum ste.corr
0.000000 2616.873080 0.998722
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