[gmx-users] How to create dual topology to calculate difference in folding free energy due to mutation.

[SAKO MIRZAIE]

hi
you can do MD simulation and compute free energy of folding,
individually. for detect the folding frame or structure, use have to
regard to RMSD. please look at the following webpage:

http://www3.mpibpc.mpg.de/groups/de_groot/compbio2/p8/index.html

On 3/31/16, Tushar Ranjan Moharana <tusharranjanmoharana at gmail.com> wrote:
> Hi SAKO MIRZAIE,
> Thanks for your reply. But how can we calculate difference in folding free
> energy by doing 2 separate simulations? Please clarify (at least give some
> hints or references).
>
> Thanks a lot.
>
> "A society with free knowledge is better than a society with free food"
> --
> Tushar Ranjan Moharana
> B. Tech, NIT Warangal
> Ph D Student, CCMB
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-- 
***********************************************
sako mirzaie
PhD in biochemistry, science faculty, Islamic azad university of
sanandaj, sanandaj, Iran
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