[gmx-users] struggles with cyclic peptides
scinikhil at gmail.com
Mon Sep 14 12:58:38 CEST 2015
So your saying working with Gromacs for cyclic peptide is hopeless using
i tried all terminals
in .tdb file removing C ,O and H from -COOH so that only O will add up
and before that removing O from the pdb ,i tired that but ends up with
lots of errors.
i found in archives same issues as connection establishing with C-N but
extra atoms at each terminals ..!
Anyway thanks for your replies
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