[gmx-users] Can GROMACS mutate a residue?

Justin A. Lemkul jalemkul at vt.edu
Sat Jul 12 13:18:19 CEST 2008

Lee Soin wrote:
> Hi!
> Is there a command in GROMACS that can substitute the atoms of a whole 
> residue for another? This is quite useful in doing mutation simulations. 
> Or if that's not possible, how should I mutate a residue? Thanks!

I would use a program like DeepView (Swiss-PDBViewer), or maybe Modeller.


> -- 
> Sun Li
> Department of Physics
> Nanjing University, China
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Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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