[gmx-users] Dihedral restraints

ABEL Stephane Stephane.ABEL at cea.fr
Wed Jan 9 10:13:37 CET 2019


Hello 

I would like to apply some dihedral restraints in different residues of my protein during the production stage. For that I have added at the end of the protein itp the section 
[ dihedral_restraints ]. Is it enough ? Should I add something else in the mdp ?  In other words, how to be sure that the restraints are effectively applied during the run ? 

I am using GROMACS 2018.2

Thank in advance and happy new year to all 

Stéphane


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