Simulation Topologies and Structures

Inclosed in this .zip file are some of the files used to produce the results shown in "Controlling Swelling in Mixed Transport Polymers Through Alkyl Side Chain Physical Cross-linking" published in PNAS.  Files include:

 - topology files

 - the forcefield used for the simulation

 -  a README file to navigate what is in the different folders

 -  final structures for each of the simulations 

 - checkpoint files so the simulations can be continued by other users. 

For any more data or for the trajectories of the simulations please contact the authors.