RE: RESP charges

From: Ross Walker <>
Date: Wed 17 Apr 2002 16:28:58 +0100

Dear Vlad,

>Thanks for the answers.
>I have a problem with the script. when I run it there is an
>message: "Command a.out not found"
>Does somebody know how to fix this?

I suspect one of two problems:

1) "." is not in your path. Try editing the script and change "a.out" to

2) The compilation of a.out is failing. Try running the compilation
manually to create yourself the a.out file and then try running it on
the command line.

f77 /usr/local/amber6/src/resp/readit.f

Note, I have had problems using the gnu compiler g77 with readit.f. For
some reason it fails to wait for you to enter the number of atoms and
esp points. I got around this by using the portland group compiler

Hope this helps

|\oss Walker

| Imperial College of Science, Technology & Medicine |
| Department of Chemistry | Theoretical Division |
| Tel:- +44 20 759(45851) |
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Received on Wed Apr 17 2002 - 08:28:58 PDT
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