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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