[gmx-users] how to use a new force field

Justin A. Lemkul jalemkul at vt.edu
Tue Sep 8 23:38:25 CEST 2009

Amit Choubey wrote:
> hi gromacs user,
> Is there any good way to introduce new force field in the gromacs library?

Read in the manual about the organization of existing force fields, as well as 
the component files that are necessary to make it function.  Beyond that, look 
at the implemented force fields themselves and see how they work together.


> Amit 
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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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