Re: [AMBER] Antechamber

From: case <>
Date: Mon, 16 Sep 2013 07:47:48 -0400

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 file.
And, be sure that you really want to do should not use PM3 to
get charges.


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Received on Mon Sep 16 2013 - 05:00:03 PDT
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