# Forcefield error

**URL:** https://gromacs.bioexcel.eu/t/forcefield-error/6346
**Category:** User discussions
**Tags:** forcefield
**Created:** [May 5, 2023, 1:45pm UTC](https://gromacs.bioexcel.eu/t/forcefield-error/6346 "2023-05-05T13:45:06Z")
**Posts on this page:** 2
**Page:** 1

<div class="post-metadata">

### Author: ![Aiman811](https://avatars.discourse-cdn.com/v4/letter/a/aca169/32.png) [@Aiman811](https://gromacs.bioexcel.eu/u/Aiman811)
#### Post date: [May 5, 2023, 1:45pm UTC](https://gromacs.bioexcel.eu/t/forcefield-error/6346/1 "2023-05-05T13:45:06Z")

</div>

GROMACS version:2018.1-1  
GROMACS modification: Yes/No  
Here post your question  
hello  
i have done 3 to 4 simulation on gromacs and gives good results. but now i am trying to increase the the ns so its show error when I apply every force field. i have checked it on other than my protein and the error is same. however in my friend computer it worked very well.

going to rename charmm27.ff/aminoacids.r2b  
Opening force field file /usr/share/gromacs/top/charmm27.ff/aminoacids.r2b

going to rename charmm27.ff/rna.r2b  
Opening force field file /usr/share/gromacs/top/charmm27.ff/rna.r2b  
Reading AF.pdb…  
Read ‘SODIUM/POTASSIUM-TRANSPORTING ATPASE SUBUNIT BETA-1’, 2482 atoms

Analyzing pdb file  
Splitting chemical chains based on TER records or chain id changing.

There are 1 chains and 0 blocks of water and 304 residues with 2482 atoms

chain #res #atoms

1 ‘A’ 304 2482

All occupancies are one  
All occupancies are one  
Opening force field file /usr/share/gromacs/top/charmm27.ff/atomtypes.atp

Reading residue database… (Charmm27)  
Opening force field file /usr/share/gromacs/top/charmm27.ff/aminoacids.rtp  
Opening force field file /usr/share/gromacs/top/charmm27.ff/dna.rtp  
Opening force field file /usr/share/gromacs/top/charmm27.ff/lipids.rtp  
Opening force field file /usr/share/gromacs/top/charmm27.ff/rna.rtp  
Opening force field file /usr/share/gromacs/top/charmm27.ff/aminoacids.hdb  
Opening force field file /usr/share/gromacs/top/charmm27.ff/dna.hdb  
Opening force field file /usr/share/gromacs/top/charmm27.ff/lipids.hdb  
Opening force field file /usr/share/gromacs/top/charmm27.ff/rna.hdb  
Opening force field file /usr/share/gromacs/top/charmm27.ff/aminoacids.n.tdb  
Opening force field file /usr/share/gromacs/top/charmm27.ff/dna.n.tdb  
Opening force field file /usr/share/gromacs/top/charmm27.ff/rna.n.tdb  
Opening force field file /usr/share/gromacs/top/charmm27.ff/aminoacids.c.tdb

* * *

Program: gmx pdb2gmx, version 2024-dev-20230329-26add465fa-dirty  
Source file: src/gromacs/gmxpreprocess/ter\_db.cpp (line 138)  
Function: void read\_atom(char\*, bool, std::string\*, t\_atom\*, PreprocessingAtomTypes\*, int\*)

Inconsistency in user input:  
Atom type OH specified in terminal database has not been defined in the force  
field  
i have download the protein again and it shos the same error on every protein.

---

<div class="post-metadata">

### Author: ![akimguseynov](https://avatars.discourse-cdn.com/v4/letter/a/a183cd/32.png) [@akimguseynov](https://gromacs.bioexcel.eu/u/akimguseynov)
#### Post date: [January 1, 2024, 4:41pm UTC](https://gromacs.bioexcel.eu/t/forcefield-error/6346/2 "2024-01-01T16:41:00Z")

</div>

Hello, it seems there is an error in how they wrote the parameters, for me replacing OH with OH1 helped, same goes for charmm36
