[gmx-users] How to rolled up a polymer chain

marcello cammarata mstaxmarcello at yahoo.it
Mon Sep 22 14:20:07 CEST 2014

My goal, for now, is to model a polimer (nylon-6) chain, and to find the equilibrium position of the chain considering the capacity to be rolled up itself.
I had create a pdb file using Avogadro software, but when i go to gromacs to input the data using the function pdb2gmx
And indipendently of the force field that i
                          choose i get :that "Residue LIG not found".

How to solve this?


Ing., Ph.D.,


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