#load force field

include "loadff.inc"

#load MSF built previously

loadmsf file="step6_heatup.msf"

#load MD core

loadsetup file="step9_equil_npt_more.mds"

#tell times information in the file

trjin file="step9_equil_npt_more.trj"

ts=$timeend-4000

#calculate Radial Distribution for O-O

trjcalc rdf cutoff=15.0 binSize=0.05 \

        reference="name POT"  target="name CLA" startpos=1.2 \

        trjfile="step9_equil_npt_more.trj" \

        timestart=$ts \

        output="rdf_K_CL.txt"