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

[Neena Susan Eappen]

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