: Neena Susan Eappen
Sent: Wednesday, July 31, 2019 11:54 PM
To: gromacs.org_gmx-users@maillist.sys.kth.se
Subject: [gmx-users] OPLS parameterization for a modified aminoacid
Hello gromacs users,
Do I use this reference for the procedure to find OPLS parameters for a
modified aminoacid?
Kaminski
Hello gromacs users,
Do I use this reference for the procedure to find OPLS parameters for a
modified aminoacid?
Kaminski, G.A., Friesner, R.A., Tirado-Rives, J., Jorgensen, W.L.: Evaluation
and Reparametrization of the OPLS-AA Force Field for Proteins via Comparison
with Accurate Quantum
