# Does anyone know why am I getting an error message using HADDOCK web server?

**URL:** <https://ask.bioexcel.eu/t/does-anyone-know-why-am-i-getting-an-error-message-using-haddock-web-server/142>\
**Category:** HADDOCK\
**Created:** [June 24, 2016, 2:54am UTC](https://ask.bioexcel.eu/t/does-anyone-know-why-am-i-getting-an-error-message-using-haddock-web-server/142 "2016-06-24T02:54:26Z")\
**Posts on this page:** 9\
**Page:** 1

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**Author:** ![nnubiaits01](https://avatars.discourse-cdn.com/v4/letter/n/58956e/32.png) [@nnubiaits01](https://ask.bioexcel.eu/u/nnubiaits01)\
**Post date:** [June 24, 2016, 2:54am UTC](https://ask.bioexcel.eu/t/does-anyone-know-why-am-i-getting-an-error-message-using-haddock-web-server/142/1 "2016-06-24T02:54:26Z")

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It shows “Your HADDOCK run has encountered errors and was aborted”

Status: FAILED  
There was an error in the simulated annealing stage of the docking.  
How could I solve this problem?

Thank you in advance

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**Author:** ![amjjbonvin](https://dub1.discourse-cdn.com/flex013/user_avatar/ask.bioexcel.eu/amjjbonvin/32/23_2.png) [@amjjbonvin](https://ask.bioexcel.eu/u/amjjbonvin)\
**Post date:** [June 24, 2016, 2:55am UTC](https://ask.bioexcel.eu/t/does-anyone-know-why-am-i-getting-an-error-message-using-haddock-web-server/142/2 "2016-06-24T02:55:34Z")

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Many possible reasons why it1 could fail.  
Search for error messages in the output of it1 (there should be one provided on the webpage of your run - look for ERR in the file).

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**Author:** ![nnubiaits01](https://avatars.discourse-cdn.com/v4/letter/n/58956e/32.png) [@nnubiaits01](https://ask.bioexcel.eu/u/nnubiaits01)\
**Post date:** [June 24, 2016, 12:29pm UTC](https://ask.bioexcel.eu/t/does-anyone-know-why-am-i-getting-an-error-message-using-haddock-web-server/142/3 "2016-06-24T12:29:56Z")

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Hi, this is kind of message that appears in error file:

%PARRDR-ERROR: duplication of bond HC NC2  
%PARRDR-ERROR: duplication of angle CH2P CH2E HA  
PARRDR\> end  
%PARRDR-ERROR: duplication of bond HC NC2  
%PARRDR-ERROR: duplication of bond OUF SUF  
%PARRDR-ERROR: duplication of angle CH2P CH2E HA  
%PARRDR-ERROR: duplication of angle OUF SUF OUF  
%PARRDR-ERROR: duplication of nonbonded entry SUF  
%PARRDR-ERROR: duplication of nonbonded entry OUF  
…

XRDECODE-ERR: Illegal argument(s).:  
evaluate ($resid2=encode(decode($resid1)+1))  
^  
%EVALUATE-ERR: EVALUATE assignment aborted.:  
evaluate ($resid2=encode(decode($resid1)+1))  
^  
SHOW: sum over selected elements = 1.000000  
( B VAL 111 N ) 2219.0  
…

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**Author:** ![amjjbonvin](https://dub1.discourse-cdn.com/flex013/user_avatar/ask.bioexcel.eu/amjjbonvin/32/23_2.png) [@amjjbonvin](https://ask.bioexcel.eu/u/amjjbonvin)\
**Post date:** [June 24, 2016, 12:50pm UTC](https://ask.bioexcel.eu/t/does-anyone-know-why-am-i-getting-an-error-message-using-haddock-web-server/142/4 "2016-06-24T12:50:24Z")

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Are you running a local version of HADDOCK? Did you manually define the flexible regions?  
If this is the case, there must be a typo in your run.cns

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**Author:** ![nnubiaits01](https://avatars.discourse-cdn.com/v4/letter/n/58956e/32.png) [@nnubiaits01](https://ask.bioexcel.eu/u/nnubiaits01)\
**Post date:** [June 25, 2016, 1:22pm UTC](https://ask.bioexcel.eu/t/does-anyone-know-why-am-i-getting-an-error-message-using-haddock-web-server/142/5 "2016-06-25T13:22:17Z")

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I am using the easy interface to the HADDOCK web server and I did not define the flexible regions.

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**Author:** ![amjjbonvin](https://dub1.discourse-cdn.com/flex013/user_avatar/ask.bioexcel.eu/amjjbonvin/32/23_2.png) [@amjjbonvin](https://ask.bioexcel.eu/u/amjjbonvin)\
**Post date:** [June 26, 2016, 2:42am UTC](https://ask.bioexcel.eu/t/does-anyone-know-why-am-i-getting-an-error-message-using-haddock-web-server/142/6 "2016-06-26T02:42:30Z")

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Without more information on your system (what kind of molecules are you docking) we can’t do much… Also are you using the 2.2 version of the server?

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**Author:** ![nnubiaits01](https://avatars.discourse-cdn.com/v4/letter/n/58956e/32.png) [@nnubiaits01](https://ask.bioexcel.eu/u/nnubiaits01)\
**Post date:** [June 26, 2016, 1:45pm UTC](https://ask.bioexcel.eu/t/does-anyone-know-why-am-i-getting-an-error-message-using-haddock-web-server/142/7 "2016-06-26T13:45:40Z")

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I had problems with dimers first pdb ( contains multiple forms of the same residue), and second pdb 2 (Unable to generate topology for ligand MOH. PRODRG did not create the required output; pdb file contains multiple residues with number 5 in chain A), and I fixed this using PDB tools. I am using 2.2 version.

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**Author:** ![amjjbonvin](https://dub1.discourse-cdn.com/flex013/user_avatar/ask.bioexcel.eu/amjjbonvin/32/23_2.png) [@amjjbonvin](https://ask.bioexcel.eu/u/amjjbonvin)\
**Post date:** [June 26, 2016, 2:00pm UTC](https://ask.bioexcel.eu/t/does-anyone-know-why-am-i-getting-an-error-message-using-haddock-web-server/142/8 "2016-06-26T14:00:46Z")

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Send me via email your PDB - there is something fishy in your system  
Did you read all the related other threads in ask.bioexcel.eu?

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**Author:** ![amjjbonvin](https://dub1.discourse-cdn.com/flex013/user_avatar/ask.bioexcel.eu/amjjbonvin/32/23_2.png) [@amjjbonvin](https://ask.bioexcel.eu/u/amjjbonvin)\
**Post date:** [February 13, 2018, 7:58am UTC](https://ask.bioexcel.eu/t/does-anyone-know-why-am-i-getting-an-error-message-using-haddock-web-server/142/10 "2018-02-13T07:58:15Z")

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Do you really believe that, even doing our best, we can help you when zero information is provided …???
