# Applying flat bottom potential on substrate

**URL:** <https://gromacs.bioexcel.eu/t/applying-flat-bottom-potential-on-substrate/5500>\
**Category:** User discussions\
**Tags:** forcefield\
**Created:** [December 28, 2022, 2:06pm UTC](https://gromacs.bioexcel.eu/t/applying-flat-bottom-potential-on-substrate/5500 "2022-12-28T14:06:19Z")\
**Posts on this page:** 3\
**Page:** 1

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**Author:** ![l\_aditi](https://avatars.discourse-cdn.com/v4/letter/l/b38774/32.png) [@l\_aditi](https://gromacs.bioexcel.eu/u/l_aditi)\
**Post date:** [December 28, 2022, 2:06pm UTC](https://gromacs.bioexcel.eu/t/applying-flat-bottom-potential-on-substrate/5500/1 "2022-12-28T14:06:19Z")

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GROMACS version: 18.8  
GROMACS modification: NO

I want to apply flat bottom restraint on my substrate while pulling it in the z direction, such that it will able to move freely in a specific area only.

Content of file I have created:  
; Position restraint for substrate  
[position\_restraints]  
; i funct g r k  
8 2 2 0.7 10000

secondly while doing the final umbrella sampling I used this file:  
; Position restraint for substrate  
[position\_restraints]  
; i funct g r k  
8 2 2 1.0 10000

I wanted to know whether I am mentioning the function and g value correctly or not?  
what should be the value of funct and g?

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**Author:** ![alevilla](https://dub1.discourse-cdn.com/flex017/user_avatar/gromacs.bioexcel.eu/alevilla/32/439_2.png) [@alevilla](https://gromacs.bioexcel.eu/u/alevilla)\
**Post date:** [January 13, 2023, 10:10am UTC](https://gromacs.bioexcel.eu/t/applying-flat-bottom-potential-on-substrate/5500/2 "2023-01-13T10:10:57Z")

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Hi,  
It depends what you want to do. In the following links you find the explanation of function values and of the g (geometry) values

- a value of funct = 2 in the directive [position\_restrains] correspond to flat bottom restraints see here for  
[https://manual.gromacs.org/current/reference-manual/topologies/topology-file-formats.html](https://manual.gromacs.org/current/reference-manual/topologies/topology-file-formats.html)
- a values of g = 2 In GROMACS 2022, g=2 setting is mapped g=8 see more here [https://manual.gromacs.org/current/reference-manual/functions/restraints.html?highlight=restrain](https://manual.gromacs.org/current/reference-manual/functions/restraints.html?highlight=restrain).  
I guess you are using an older GROMACS version (series 2018?), in that case good to cross check with the manual of the corresponding version.

I hope it helps  
Alessandra

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<div class="post-metadata">

**Author:** ![l\_aditi](https://avatars.discourse-cdn.com/v4/letter/l/b38774/32.png) [@l\_aditi](https://gromacs.bioexcel.eu/u/l_aditi)\
**Post date:** [January 14, 2023, 1:35pm UTC](https://gromacs.bioexcel.eu/t/applying-flat-bottom-potential-on-substrate/5500/3 "2023-01-14T13:35:09Z")

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Hello Alessandra,  
Thanks for clarifying my doubt.  
Actually, what I am trying to do is pull a substrate through a membrane transporter. For this, I am placing the substrate above the protein (in the solvent) and pulling it using a constant force and velocity. Instead of moving through the transporter pore, it is moving just adjacent to the protein’s surface. I tried to increase the pulling force and velocity, but nothing seems to work.  
Can you please suggest to me any approach to proceed with?
