[CHM 330] Lab Time and Failed Calculations

Andrew J. Pounds pounds_aj at mercer.edu
Wed Nov 30 15:13:09 EST 2022


Students -- if you have not done so, please request your molecule for 
the molecular modeling project.

IF your molecule fails during the calculation (which today's experiments 
showed can happen with MOPAC) you may use DMSA as a backup molecule.  If 
you do have to do this please tell me which molecule you had that failed 
in your submission.

The next ten days are BUSY.  In addition to all of the end of semester 
stuff I am, due to my dual appointment, on three separate faculty search 
committees.  Interviews start on Friday.   I will not be available 
Friday afternoon but I will try to leave the computer lab (GSC 218) open 
between 1:15 and 3 pm.   I will also try to leave the computer lab open 
tomorrow between 12:30 and 2 pm.  If you cannot make those times you 
MUST schedule a time with me to use the lab.

I will try to make sure that all of the systems are booted into Windows 
as you do not have login credentials for the Unix systems.  Don't waste 
your time trying to log into a system that is booted into Unix.


-- 
*Andrew J. Pounds, Ph.D.*
/Professor of Chemistry and Computer Science/
/Director of the Computational Science Program/
/Mercer University, Macon, GA, 31207 (478) 301-5627 /
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