Hi,
When I runed *_sidechain.bcl,I can nomally get the gaussian opt file named
*_sidechain_opt.com and the fc file named *._sidechain_fc.com,I used
Gaussian to carry out optimization and frequency calculations,I can get the
*_sidechain_opt.fchk ,*_sidechain_opt.log and
*._sidechain_fc.fchk,*._sidechain_fc.log.But I looked for the
*_sidechain_fc_sem.bcl,
----------------*_sidechain_fc_sem.bcl------------
...
# Read G03 Formatted Checkpoint file
readFormattedChkPtFile NAME_sidechain_opt_md.fchk
...
-----------------------------------------------
It needs the file named *_sidechain_opt_md.fchk,not *_sidechain_opt.fchk,I
want to know the file named *_sidechain_opt_md.fchk is corresponded to
*_sidechain_opt.fchk?
The same question in *_sidechain_fc_md.bcl,
------------------*_sidechain_fc_md.bcl-----------
...
# Read G03 file
readG03Output 3H68_OH_sidechain_fc_md.log
...
-----------------------------------------------
*_sidechain_fc_md.log correspond to *_sidechain_fc.log?
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Received on Thu Nov 17 2011 - 23:30:03 PST
