[gmx-users] Can GROMACS mutate a residue?

[DEEPESH AGARWAL]

Hi,

In addition to what Justin has suggested, VMD has a tool to mutate a
residue- Extensions>Modeling>Mutate residue.

Deepesh


On 7/12/08, Justin A. Lemkul <jalemkul at vt.edu> wrote:
>
>
> 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.
>
> -Justin
>
>>
>> --
>> 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
> http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
>
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