AMBER Archive (2009)

Subject: Re: Solved it thanks [AMBER] RED.III: Invalid Optimization OUTPUT

From: s. Bill (
Date: Wed Jul 29 2009 - 07:14:02 CDT

I solved it Thanks so much

--- On Wed, 29/7/09, s. Bill <> wrote:

From: s. Bill <>
Subject: [AMBER] RED.III: Invalid Optimization OUTPUT
To: "AMBER" <>
Date: Wednesday, 29 July, 2009, 8:37 AM

I am using RED.III to generate my molecular charges. I optimized my molecule using Gaussian 03 and then trying to assign the charges only unsing resp. I changed the name of my output file to Mol_red1.log and then switched off Opt_Calc in the Main Program in file.
When I run the program it gives the folloing error:

 * Selected optimization output *
    Invalid optimization OUTPUT !

According to the tutorials, this error is returned to Frequency calculations in the output file, but I didn't calculated the frequency, I used the following route in my Gaussain job:
#P HF/6-31G* Opt=Tight GFInput GFPrint SCF(Conver=8) Test

Any help please
Thanks in Advance

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