Re: [AMBER] cannot recognize Cl

From: zoran matovic <>
Date: Fri, 8 Jul 2016 11:06:05 +0200


Hi Zoran,
Thanks for the help!
When I ran, I have such chk command:

this is just for instruction gaussian to read checkpoint file from optimization job, its not command for generating fchck file.

I think this will use the .chk file from small_opt job and then write to the same file, so as you said, this procedure formatted the .chk file, right?
I will try to add fcheck to my input.

try with fchk keyword; rename generated fchk and all would be just fine.

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Received on Fri Jul 08 2016 - 02:30:02 PDT
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