cs: CS2BACKBONE ATOMS=1-2612 DATADIR=../data/ TEMPLATE=template.pdb NEIGH_FREQ=1 NOPBC 

ens: ENSEMBLE ARG=(cs\.ca_.*),(cs\.cb_.*),(cs\.hn_.*),(cs\.nh_.*)

st: STATS ARG=(cs\.ca_.*),(cs\.cb_.*),(cs\.hn_.*),(cs\.nh_.*) PARARG=(cs\.expca_.*),(cs\.expcb_.*),(cs\.exphn_.*),(cs\.expnh_.*)
ste: STATS ARG=ens.* PARARG=(cs\.expca_.*),(cs\.expcb_.*),(cs\.exphn_.*),(cs\.expnh_.*)

RESTRAINT ARG=st.sqdevsum,ste.corr AT=0,1 KAPPA=0,0 SLOPE=1,1

DUMPFORCES ARG=(cs\.ca_.*),(cs\.cb_.*),(cs\.hn_.*),(cs\.nh_.*) FILE=forces

csa: CS2BACKBONE ATOMS=1-2612 DATADIR=../data/ TEMPLATE=template.pdb NEIGH_FREQ=1 NOPBC CAMSHIFT
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
