Posted by Luis Serrano on March 23, 2001 at 18:21:24:
In Reply to: structure program posted by Fredrik Blomgren on February 20, 2001 at 16:59:56:
Nothing related to the .rctfld file. The
problem is that you do not use the
recommended script commands:
ln -fs $MOLCAS/shell/molcas.ksh molcas
molcas run structure ...
and therefore structure cannot find the
add the command
ln -fs $MOLCAS/shell/molcas.ksh $WorkDir/molcas
at the beginning of your script
or obtain the updated version of MOLCAS where
a patch solves the problem.
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