marrink-lab / polyply_1.0

Generate input parameters and coordinates for atomistic and coarse-grained simulations of polymers, ssDNA, and carbohydrates
Apache License 2.0
126 stars 22 forks source link

update links for abitrary ether vinyl combinations #216

Open fgrunewald opened 2 years ago

fgrunewald commented 2 years ago

some additional missing pair interactions, one incorrect pair when combining polyethers and polyvinyl in arbitrary combinations. Good thing is this should not have resulted into false simulations because these faulty conformations immediately crash.

ToDo: