[gmx-users] Porting Amber parmbsc0 force field to Gromacs

[Justin A. Lemkul]

william Stebbeds wrote:
> Hello,
> 
> I would like to use the parmbs0 Amber forcefield to Gromacs, 
> specifically the nucleic acid parameters.
> 
> Is this likely to come in a future release?
> 

Force fields are only implemented if a developer has a compelling reason to do 
so, and then take the time to validate it.  As such, new force fields are not 
often introduced.

> I appreciate that this will likely be a difficult process but if anyone 
> can point me in the right direction I would be very grateful.
> 

You can probably take an existing Amber force field and modify it.  Chapter 5 is 
your friend here.  By modifying existing files, you don't have to come up with 
all the syntax by yourself.

-Justin

> Will - Cranfield University
> 

-- 
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Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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