AMBER Archive (2003)

Subject: Re: Problem_to_open_PROTON_INFO_file

From: David A. Case (case_at_scripps.edu)
Date: Thu Apr 24 2003 - 10:30:32 CDT

On Thu, Apr 24, 2003, Khanh.Dao_at_iac.uib.no wrote:
>
>
>
> protonate -k -d PROTON_INFO < 1plc.nowat.pdb > 1plc.nowat.H.pdb >&
> protonate.out

This depends on what shell you are running. The above is for csh, I believe.
If you are using sh, bash, zsh, I think you can just replace ">&" with
"2>"; but check your shell documentation.

>
> protonate -k -d PROTON_INFO < 1plc.nowat.pdb > protonate.out
>
> I got the message "Unit 10 Error on OPEN: PROTON_INFO"

The default (with no -d switch) will find the above file. But if you want
to point to something explicitly, you need to include the complete path
to the file, (such as $AMBERHOME/dat/PROTON_INFO).

..good luck...dac 

-- 

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David A. Case                     |  e-mail:      case_at_scripps.edu
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