Alex Granovsky
gran@classic.chem.msu.su
>I've done it and the following error have appeared:
>// ...
>IVIB= 2 IATOM= 30 ICOORD= 3 E= -5313.1191437233
> **** ERROR, EXPECTING IVIB,IATOM,ICOORD= 2 31 1
> GOT JVIB,JATOM,JCOORD= 0 0 0
> INSPECT YOUR $VIB GROUP.
>//
>How can I use this option if the previous run was terminated on a step of calculation for IVIB= 2 IATOM= 30 ICOORD= 3?
Did you add the $end keyword at the end of $vib group?
Regards,
Alex Granovsky