[gmx-users] DSSP with custom residues

Stephanie Jephthah steph.jephthah at gmail.com
Tue Apr 26 14:57:05 CEST 2016


I'm simulating a protein conjugate and thus uses custom residues. Is there
any way to make the dssp program aware of the custom residues (and does it
make sense to do so)? I'm using gromacs 4.6.7 and the "new" dssp. I'm
assuming that the problem is not with do_dssp but with dssp, but please
correct me if I'm wrong.

Kind regards,
Stephanie Jephthah

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