Hi,

I was trying to save the interaction energies in array and dump them in the file at the end of the loop completion.

I tried things mentioned in miscom.doc but still I get this error I might not have understood the miscom.doc completely.

Below is the snippet and error which I encounter.

snippet
Code:
OPEN UNIT 28 WRITE FORM NAME dummyfile.dat

SET frame 0
LABEL TimeFrameTernary
TRAJ READ

inter SELECT some1 END SELECT some2 END
set @wbvdw@@frame ?vdw
set @wbelec@@frame ?elec
set @wbtot@@frame ?ener

increment frame
if frame .LT. ?NFILE GOTO TimeFrameTernary
echu 28
echo @wbvdw @wbelec @wbtot 



Error

Code:
 CHARMM>    set @wbvdw@@frame ?vdw
 Parameter: FRAME -> "0"
  * WARNING * <PARSUB> Command ignored. Token not found: >WBVDW0<


Regards,
Rohit Modee