[gmx-users] Vacuum simulation of a peptide feasible using GROMACS?

Neena Susan Eappen neena.susaneappen at mail.utoronto.ca
Sat Nov 10 04:55:03 CET 2018

Hello GROMACS users,

I am a first time user of GROMACS. I was wondering can I model a peptide (to learn about secondary structure) in gas phase with different charge sites using GROMACS?

Many thanks,

Neena Eappen
Graduate Student
Jockusch Lab<http://www.chem.utoronto.ca/wp/jockusch/>, U of T

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