Re: AMBER: RED-vIII fails

From: FyD <>
Date: Mon, 29 Oct 2007 17:25:09 +0100

Quoting Jesper Soerensen <>:

> I am trying to prepare parameters for a neutral C-terminal amino acid. I
> have done as in the tutorial, but the program fails giving the following
> message:
>> The RESP-A1 charges are being derived for ALL molecules...
>> [ FAILED ]
>> See the "output(1|2)_mm" file
> If I look at the output of "output2_mm" then at the end of the file it
> says:
>> Unit 3 Error on OPEN: qout1_mm

Could you provide the end of the output1_mm and output2_mm files ?
Let's say the last 100 lines...

> And I have checked there is no file by that name. Have I done something
> wrong? I have run all the QM (g03) calculations in RED, but I have
> checked and made sure that they have all returned an optimized
> structure. I have included the headers of the two files I am using.

regards, Francois

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Received on Wed Oct 31 2007 - 06:07:34 PDT
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