trajin 30-50ns_noWAT_500frames_chain_6.mdcrd 1 1000000000 1
strip :WAT:Cl-:CIO:Cs+:IB:K+:Li+:MG2:Na+:Rb+
center :1-524 mass origin
image origin center
center :1-1048 mass origin
image origin center
rms first mass :1-524
average _MMPBSA_avgcomplex.pdb pdb
trajout _MMPBSA_complex.mdcrd nobox