Re: Problem with STRUCTURE

Posted by Valera Veryazov on March 31, 2003 at 14:32:48:

In Reply to: Problem with STRUCTURE posted by John Nash on March 28, 2003 at 21:23:22:

Script 'structure.sh' is obsolete and it is not supported anymore..

the recommended way to run structure calculation is to use 'auto' script
(this option requires a special syntax of an input file /molcas/tutor/node45.html),

or at least automolcas script:

molcas automolcas inputfile

instead of:
molcas structure inputfile

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Comments:
: Script 'structure.sh' is obsolete and it is not supported anymore.. : the recommended way to run structure calculation is to use 'auto' script : (this option requires a special syntax of an input file /molcas/tutor/node45.html), : or at least automolcas script: : molcas automolcas inputfile : instead of: : molcas structure inputfile