MOLINFO MOLTYPE=protein STRUCTURE=peptide.pdb

protein-h: GROUP NDX_FILE=index.ndx NDX_GROUP=Protein-H
solva: EEFSOLV ATOMS=protein-h NL_STRIDE=1

DUMPDERIVATIVES ARG=solva FILE=DERIV_A FMT=%6.1f

BIASVALUE ARG=solva

PRINT ARG=solva FILE=SOLV FMT=%.2f

ENDPLUMED
