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

Justin A. Lemkul jalemkul at vt.edu
Sat Feb 5 18:23:32 CET 2011

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.


> Will - Cranfield University


Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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