On Mon, Sep 16, 2013, Jasim, Mahmood (Student) wrote:
> Regarding -ek flag I tried adding -ek"PM3" and -ek"MOPAC" to the command
> for the prepi file and both did not waork, I did not get any new files.
The -ek flag generates input for sqm. Try just editing the sqm.in file.
And, be sure that you really want to do this...you should not use PM3 to
get charges.
...dac
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Received on Mon Sep 16 2013 - 05:00:03 PDT
