[phenixbb] phenix.elbow error

[Eugene Osipov]

Dear phenix developers,
I have found that QM calculations in phenix.elbow fail due to an error:
*bad fp number.*
I've found the source of the error in
phenix-1.14-3260/modules/elbow/elbow/quantum/run_utils.py
at line 11:
easy_run.call('./%s.csh >& /dev/null' % project)
should be :
easy_run.call('./%s.csh 2>&1 /dev/null' % project)

Also jaguar template (phenix-1.14-3260/modules/elbow/Jaguar.csh) is a bit
outdated. For $SCHRODINGER/jaguar paramether -PROC was replaced by
-PARALLEL
also, it seems that programs seeks for wrong input file.
So I suggest that:
$SCHRODINGER/jaguar run -PROCS %d -WAIT $PROJECT
should look like:
$SCHRODINGER/jaguar run -PARALLEL %d -WAIT $PROJECT.in

Can you please fix this issues in next releases?

-- 
Evgenii Osipov
Laboratory for Biocrystallography,
Department of Pharmaceutical Sciences,
KU Leuven O&N2
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