[gmx-users] Studying protein folding: An approach

[Miguel Quiliano Meza]

Dear Community.

I am a beginner user of Gromacs for this reason I would like to consult my
case.

Nowadays, I am studying a protein which folding process has experimental
data (especially for a mutant). Structural information about how a mutant
destabilizes secondary structure was recently published. The work shown  how
gradually increasing 1  C degree the structure is affected (from 18 to 20
C).

I would like to study the process in silico, but I don´t know what
parameters put in the ".mdp" file.

Please their advices or help would be appreciated.

Best Regards.

Miguel Quiliano
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