# TIP in my pdb file

**URL:** <https://ask.bioexcel.eu/t/tip-in-my-pdb-file/5943>\
**Category:** Uncategorized\
**Tags:** haddock\
**Created:** [November 9, 2025, 11:04am UTC](https://ask.bioexcel.eu/t/tip-in-my-pdb-file/5943 "2025-11-09T11:04:12Z")\
**Posts on this page:** 3\
**Page:** 1

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**Author:** ![Vibes](https://avatars.discourse-cdn.com/v4/letter/v/ecb155/32.png) [@Vibes](https://ask.bioexcel.eu/u/Vibes)\
**Post date:** [November 9, 2025, 11:04am UTC](https://ask.bioexcel.eu/t/tip-in-my-pdb-file/5943/1 "2025-11-09T11:04:13Z")

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Hi, I am running a protein-small molecule docking and there is an error in my pdb file. My water molecule is defined as TIP. What should I change TIP into? I have attached the pdb file and error given by HADDOCK for your reference.

 ![image](https://europe1.discourse-cdn.com/flex013/uploads/bioexcel/original/2X/4/4550ac5407c98bab57ab8f18283e75534ff26d48.png)

 ![image](https://europe1.discourse-cdn.com/flex013/uploads/bioexcel/original/2X/7/7d469a8bbab3c709d1410fe6d05ae0f01e852a50.png)

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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:** [November 9, 2025, 11:22am UTC](https://ask.bioexcel.eu/t/tip-in-my-pdb-file/5943/2 "2025-11-09T11:22:43Z")

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The water should be defined as HETATM

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<div class="post-metadata">

**Author:** ![Vibes](https://avatars.discourse-cdn.com/v4/letter/v/ecb155/32.png) [@Vibes](https://ask.bioexcel.eu/u/Vibes)\
**Post date:** [November 9, 2025, 12:37pm UTC](https://ask.bioexcel.eu/t/tip-in-my-pdb-file/5943/3 "2025-11-09T12:37:15Z")

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Hi, I changed ATOM to HETATM, but now the error is as follows. What should I do?

 ![image](https://europe1.discourse-cdn.com/flex013/uploads/bioexcel/original/2X/6/6ff6b526ce324d726a6a3db26fab683dc2a952f2.png)