[gmx-users] opls parameters fir gramicidin terminal groups

Michael Daily mdaily.work at gmail.com
Mon Sep 19 02:30:17 CEST 2011

Does anyone know where I can find opls-aa parameters for strange peptide
terminal groups, such as the formyl N-terminus and ethanolamine C-terminus
of gramicidin A? I know for charmm you can auto-generate these using
swissparam but I don't know of any equivalent for opls.


Michael D. Daily
Postdoctoral research associate
Pacific Northwest National Lab (PNNL)
(formerly Qiang Cui group, University of Wisconsin-Madison)
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