AMBER Archive (2004)

Subject: Re: AMBER: mm_pbsa.pl in Amber8

From: Sarah Rankin (sarah.rankin_at_ulsop.ac.uk)
Date: Mon Aug 23 2004 - 05:00:21 CDT

Hi Jufang,

I have managed to keep the delphilog files by going into the
$AMBERHOME/src/mm_pbsa directory and modifying the mm_pbsa_calceneent.pm
file.

Comment out the line:

unlink $delphiout;

(line 335)

and this should keep the delphi output files for each snapshot.

Regards

Sarah

On Friday 20 Aug 2004 20:13, Shan, Jufang wrote:
> Hi,
>
> Could anyone kindly let me know how can I get delphi output when running
> mm_pbsa.pl in Amber8? It has been changed from the one in Amber7...
>
> Thanks,
> Jufang
>
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-- 
Sarah Rankin	
Cancer Research UK Biomolecular Structure Group	
University of London School of Pharmacy
29/39 Brunswick Square
LONDON
WC1N 1AX

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