[gmx-users] Secondary Structure Restraints: martinize.py

shivangi nangia shivangi.nangia at gmail.com
Fri May 1 16:24:08 CEST 2015


I wish to turn off the secondary structure restraint in half of the peptide
while using martinze.py.

Is there any way in which this can be done.

I have tried to delete the columns in .dssp file which tell about the
structure and character of the peptide but I still get a completely helical
peptide on reverse coarse graining.

Thanks in advance.


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