[gmx-users] Position Restraints problem

Chiara Bello kiarabell at msn.com
Wed Oct 14 15:07:43 CEST 2015


Hi, I'm trying to apply the positions restraints only on alpha helices of my protein but after running mdrun, when I open the output pdb file using vmd, the protein appear broken: there are some atoms of the not restrained residues, that have been separated from the protein.
My simulation is in implicit solvent, I have used Charm27 and 
 		 	   		  


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