# Problem with the CNS executable

**URL:** <https://ask.bioexcel.eu/t/problem-with-the-cns-executable/4364>\
**Category:** HADDOCK\
**Created:** [June 5, 2023, 8:54am UTC](https://ask.bioexcel.eu/t/problem-with-the-cns-executable/4364 "2023-06-05T08:54:18Z")\
**Posts on this page:** 10\
**Page:** 1

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**Author:** ![michael](https://avatars.discourse-cdn.com/v4/letter/m/4bbf92/32.png) [@michael](https://ask.bioexcel.eu/u/michael)\
**Post date:** [June 5, 2023, 8:54am UTC](https://ask.bioexcel.eu/t/problem-with-the-cns-executable/4364/1 "2023-06-05T08:54:18Z")

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Hi  
I have this error when trying to run local version of haddock  
There is a problem with the CNS executable defined in run.cns:  
./protocols/cns1: Command not found.

I followed all the cns download rules for haddock3 (from the link [CNS Installation — haddock3 3.0.0 documentation](https://www.bonvinlab.org/haddock3/CNS.html)) and when I typed in cns it gave the correct output

And I changed the file to my cns location in the file config.local  
set CNSTMP=/home/software/cns/cns\_solve-1.31-UU-Linux64bits.exe  
set QUEUETMP=/bin/csh  
set NUMJOB=4  
set QUEUESUB=QueueSubmit\_concat.py

what am I missing?  
I made a new directory named sh3\_qkc in the directory /home/qnt/drorimi2/software/haddock2.4-2023-01/  
ran haddock2.4, then when in to the file run1 and wrote haddock2.4 and the error came up.

was I also supposed to change the location in the file run.cns? or do something else?  
Thank you very much!  
Miriam

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<div class="post-metadata">

**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 5, 2023, 9:08am UTC](https://ask.bioexcel.eu/t/problem-with-the-cns-executable/4364/2 "2023-06-05T09:08:54Z")

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This does not seem a haddock3 issue, but rather a haddock2.X one.

Did you run the install.csh script after editing the config.local file?  
And before doing that, remove if present the protocols/cns1 file

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**Author:** ![honoratorv](https://dub1.discourse-cdn.com/flex013/user_avatar/ask.bioexcel.eu/honoratorv/32/672_2.png) [@honoratorv](https://ask.bioexcel.eu/u/honoratorv)\
**Post date:** [June 5, 2023, 9:44am UTC](https://ask.bioexcel.eu/t/problem-with-the-cns-executable/4364/3 "2023-06-05T09:44:20Z")

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Try to copy your CNS executable directly to the `protocols/` folder of your HADDOCK instalation

```bash
$ cp /home/software/cns/cns_solve-1.31-UU-Linux64bits.exe /home/qnt/drorimi2/software/haddock2.4-2023-01/protocols/cns1

```

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<div class="post-metadata">

**Author:** ![michael](https://avatars.discourse-cdn.com/v4/letter/m/4bbf92/32.png) [@michael](https://ask.bioexcel.eu/u/michael)\
**Post date:** [June 5, 2023, 11:08am UTC](https://ask.bioexcel.eu/t/problem-with-the-cns-executable/4364/4 "2023-06-05T11:08:38Z")

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thank you  
now the error is  
waiting for /home/qnt/drorimi2/software/haddock2.4-2023-01/sh3\_qkc/run1/begin/sh3.pdb…  
waiting for /home/qnt/drorimi2/software/haddock2.4-2023-01/sh3\_qkc/run1/begin/sh3.psf…  
waiting for /home/qnt/drorimi2/software/haddock2.4-2023-01/sh3\_qkc/run1/begin/mc\_qrppvppkpkwlc.psf…  
waiting for /home/qnt/drorimi2/software/haddock2.4-2023-01/sh3\_qkc/run1/begin/mc\_qrppvppkpkwlc.pdb…  
Error in the topology generation: prot\_psf\_mol1 could not be created

Thx,  
Miriam

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<div class="post-metadata">

**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 5, 2023, 11:21am UTC](https://ask.bioexcel.eu/t/problem-with-the-cns-executable/4364/5 "2023-06-05T11:21:00Z")

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Could still be CNS-related.

Check the .out files in the begin directory for errors. Start at the bottom of those.  
Did you first try to run a provided example?

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<div class="post-metadata">

**Author:** ![michael](https://avatars.discourse-cdn.com/v4/letter/m/4bbf92/32.png) [@michael](https://ask.bioexcel.eu/u/michael)\
**Post date:** [June 5, 2023, 11:34am UTC](https://ask.bioexcel.eu/t/problem-with-the-cns-executable/4364/6 "2023-06-05T11:34:21Z")

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when trying the protein-peptide example run I encountered the same error  
waiting for /home/qnt/drorimi2/software/haddock2.4-2023-01/examples/protein-peptide/run1/begin/1NX1\_protein.pdb…  
waiting for /home/qnt/drorimi2/software/haddock2.4-2023-01/examples/protein-peptide/run1/begin/1NX1\_protein.psf…  
waiting for /home/qnt/drorimi2/software/haddock2.4-2023-01/examples/protein-peptide/run1/begin/DAIDALSSDFT\_ext.psf…  
waiting for /home/qnt/drorimi2/software/haddock2.4-2023-01/examples/protein-peptide/run1/begin/DAIDALSSDFT\_ext.pdb…  
Error in the topology generation: prot\_psf\_mol1 could not be created  
=\> HADDOCK stopped

the generate\_1.out file ends like this  
RTFRDR\>set message=off echo=off end  
%AUTOAN error encountered: exceeded MXRTT (RTF) parameter → recompile program  
(CNS is in mode: SET ABORT=NORMal END)

* * *

ABORT mode will terminate program execution.

* * *

Program will stop immediately.  
============================

what does this mean?

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<div class="post-metadata">

**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 5, 2023, 11:47am UTC](https://ask.bioexcel.eu/t/problem-with-the-cns-executable/4364/7 "2023-06-05T11:47:39Z")

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You need to recompile CNS with the code provided together with HADDOCK (check the cns1.3 directory)

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<div class="post-metadata">

**Author:** ![michael](https://avatars.discourse-cdn.com/v4/letter/m/4bbf92/32.png) [@michael](https://ask.bioexcel.eu/u/michael)\
**Post date:** [June 5, 2023, 12:23pm UTC](https://ask.bioexcel.eu/t/problem-with-the-cns-executable/4364/8 "2023-06-05T12:23:42Z")

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OK  
what I did to move the files of haddock cns to the cns source file was as followes:  
cp /home/qnt/drorimi2/software/haddock2.4-2023-01/cns1.3/\* source/  
(and not what it said on the website since Im using haddock2.4 and not 3 so I cant do cp ~/software/haddock3/varia/cns1.3/\* source/ since its not in the right directory)

is this incorrect? and thats why when I did the recompile it did not work properly?  
thank you

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<div class="post-metadata">

**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 5, 2023, 3:07pm UTC](https://ask.bioexcel.eu/t/problem-with-the-cns-executable/4364/9 "2023-06-05T15:07:57Z")

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And did you reinstall / recompile CNS after that? Was it successful?

Of course the exact commands of the tutorial can not be used as your installation directories are different

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<div class="post-metadata">

**Author:** ![Miriam](https://avatars.discourse-cdn.com/v4/letter/m/c89c15/32.png) [@Miriam](https://ask.bioexcel.eu/u/Miriam)\
**Post date:** [June 5, 2023, 7:21pm UTC](https://ask.bioexcel.eu/t/problem-with-the-cns-executable/4364/10 "2023-06-05T19:21:42Z")

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Thank you  
it worked
