AMBER Archive (2009)

Subject: [AMBER] make test.serial.QMMM

From: michael bane (michael.bane_at_manchester.ac.uk)
Date: Wed Apr 01 2009 - 10:44:51 CDT

I'm installing Amber10 and 'make serial;make test' passes everything
but when I run make test.serial.QMMM I get a difference for divcon.out
and it's unclear what the 'RES' means in this context:

diffing divcon.out.save with divcon.out
possible FAILURE: check divcon.out.dif

mccssmb2_at_man2e:/software/amber-10/amber10/test/crambin_qmmmnmr$ diff
divcon.out divcon.out.save
67c67
< 2 O 4.41300 3.26200 10.56800 RES 

---
 >        2         O             4.41300     3.26200    10.56800

All help appreciated, thanks,
M.
--
Dr. Michael K Bane
Senior Development Officer
RESEARCH COMPUTING SERVICES
Devonshire House
Precinct Centre
The University of Manchester
Manchester
M13 9PL

www.rcs.manchester.ac.uk

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