1 2NOE ... 3GROUPA1=1,3 GROUPB1=20,20 NOEDIST1=10 4GROUPA2=3 GROUPB2=17 NOEDIST2=50 5DOSCORE 6ADDOFFSET OFFSET_MAX=2 OFFSET_MIN=0 OFFSET0=1 DOFFSET=0 7SIGMA_MEAN0=1 8SIGMA0=1 DSIGMA=0 9NOISETYPE=GAUSS 10TEMP=300 11LABEL=prova 12... NOE 13 14NOE ... 15GROUPA1=1,3 GROUPB1=20,20 NOEDIST1=10 16GROUPA2=3 GROUPB2=17 NOEDIST2=50 17DOSCORE 18ADDOFFSET OFFSET_MAX=2 OFFSET_MIN=0 OFFSET0=1 DOFFSET=0 19SIGMA_MEAN0=1 20SIGMA0=1 DSIGMA=0 21NOISETYPE=GENERIC DFTILDE=0 22TEMP=300 23LABEL=prova3 24... NOE 25 26NOE ... 27GROUPA1=1,3 GROUPB1=20,20 28GROUPA2=3 GROUPB2=17 29LABEL=prova2 30... 31 32METAINFERENCE ... 33ARG=prova2.noe-0,prova2.noe-1 34PARAMETERS=10,50 35ADDOFFSET OFFSET_MAX=2 OFFSET_MIN=0 OFFSET0=1 DOFFSET=0 36SIGMA_MEAN0=1 37SIGMA0=1 DSIGMA=0 38NOISETYPE=GAUSS 39TEMP=300 40LABEL=mi 41... 42 43METAINFERENCE ... 44ARG=prova2.noe-0,prova2.noe-1 45PARAMETERS=10,50 46ADDOFFSET OFFSET_MAX=2 OFFSET_MIN=0 OFFSET0=1 DOFFSET=0 47SIGMA_MEAN0=1 48SIGMA0=1 DSIGMA=0 49NOISETYPE=GENERIC DFTILDE=0 50TEMP=300 51LABEL=mi2 52... 53 54DUMPDERIVATIVES ARG=prova.score,prova3.score STRIDE=1 FILE=deriv FMT=%10.3f 55PRINT ARG=prova.score,mi.bias,prova3.score,mi2.bias FILE=COLVAR STRIDE=1 56