# Error in docking

**URL:** https://ask.bioexcel.eu/t/error-in-docking/2285
**Category:** HADDOCK
**Created:** [June 29, 2020, 8:26am UTC](https://ask.bioexcel.eu/t/error-in-docking/2285 "2020-06-29T08:26:24Z")
**Posts on this page:** 8
**Page:** 1

<div class="post-metadata">

### Author: ![palranjan26](https://avatars.discourse-cdn.com/v4/letter/p/5e9695/32.png) [@palranjan26](https://ask.bioexcel.eu/u/palranjan26)
#### Post date: [June 29, 2020, 8:26am UTC](https://ask.bioexcel.eu/t/error-in-docking/2285/1 "2020-06-29T08:26:25Z")

</div>

hey,  
when I’m using HADDOCK for docking it shows error-

```
There was an inconsistency in your data
Error message
First PDB file contains multiple residues with number 28 in chain A

```

MY FILE-  
ATOM 1 N SER A 28 64.897 12.514 42.098 1.00 0.00 N  
ATOM 2 CA SER A 28 63.960 11.468 42.495 1.00 0.00 C  
ATOM 3 C SER A 28 62.866 12.027 43.375 1.00 0.00 C  
ATOM 4 O SER A 28 63.065 12.168 44.608 1.00 0.00 O  
ATOM 5 CB SER A 28 64.701 10.295 43.183 1.00 0.00 C  
ATOM 6 OG SER A 28 65.615 9.624 42.309 1.00 0.00 O  
Thanks in advance.

The HADDOCK category is meant to discuss any HADDOCK-related issue. For general information about HADDOCK refer to [http://www.bonvinlab.org/software/haddock2.2](http://www.bonvinlab.org/software/haddock2.2)

---

<div class="post-metadata">

### Author: ![ZJandova](https://dub1.discourse-cdn.com/flex013/user_avatar/ask.bioexcel.eu/zjandova/32/291_2.png) [@ZJandova](https://ask.bioexcel.eu/u/ZJandova)
#### Post date: [June 29, 2020, 8:41am UTC](https://ask.bioexcel.eu/t/error-in-docking/2285/2 "2020-06-29T08:41:24Z")

</div>

Hi,  
you might have a residue with multiple occupancy values. If this is the case, you can use our new webserver pdb-tools ( [https://bianca.science.uu.nl/pdbtools/submit](https://bianca.science.uu.nl/pdbtools/submit) ) and use the script: _pdb\_selaltloc_ to select only one version of the residue and make your pdb ready for docking.

---

<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 29, 2020, 11:04am UTC](https://ask.bioexcel.eu/t/error-in-docking/2285/3 "2020-06-29T11:04:13Z")

</div>

There must be another residue with number 28…

---

<div class="post-metadata">

### Author: ![palranjan26](https://avatars.discourse-cdn.com/v4/letter/p/5e9695/32.png) [@palranjan26](https://ask.bioexcel.eu/u/palranjan26)
#### Post date: [June 29, 2020, 1:54pm UTC](https://ask.bioexcel.eu/t/error-in-docking/2285/4 "2020-06-29T13:54:04Z")

</div>

how can i resiolve this issue???

---

<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 29, 2020, 5:48pm UTC](https://ask.bioexcel.eu/t/error-in-docking/2285/5 "2020-06-29T17:48:07Z")

</div>

Check you PDB file for duplications of residue numbers!!!

---

<div class="post-metadata">

### Author: ![palranjan26](https://avatars.discourse-cdn.com/v4/letter/p/5e9695/32.png) [@palranjan26](https://ask.bioexcel.eu/u/palranjan26)
#### Post date: [June 30, 2020, 3:30am UTC](https://ask.bioexcel.eu/t/error-in-docking/2285/6 "2020-06-30T03:30:32Z")

</div>

my PDB file has 4 chains and I’m using only chain A and I checked my file there is no duplicity in chain A.

---

<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 30, 2020, 6:40am UTC](https://ask.bioexcel.eu/t/error-in-docking/2285/7 "2020-06-30T06:40:20Z")

</div>

Then simply try to remove all chains before uploading to the server.

Did you tell the server to only use chain A?

---

<div class="post-metadata">

### Author: ![palranjan26](https://avatars.discourse-cdn.com/v4/letter/p/5e9695/32.png) [@palranjan26](https://ask.bioexcel.eu/u/palranjan26)
#### Post date: [June 30, 2020, 4:40pm UTC](https://ask.bioexcel.eu/t/error-in-docking/2285/8 "2020-06-30T16:40:33Z")

</div>

yes I’ll tell the chain A
