Hi,
What is the correct format of qms in AmberTools12?
I seemed to follow the example in the manual, but still got the error:
% sqm -O -i chn01yjpsqm.in -o chn01yjpsqm.out &
% Error in finding end of qmmm namelist
My input is as follows:
% more chn01yjpsqm.in&qmmm qm_theory='PM3', qmcharge=0,/ 7 N -15.710 12.083 5.949 1 H -15.268 11.750 6.794 1 H -16.549 12.559 6.240 ...
Adding the blank line before "/", or changing "/" to "&end" yielded the same error.
I need your help.
Thanks,
Genzo
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Received on Mon Apr 30 2012 - 09:30:02 PDT
