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Questions related from Lukasz Rzeznik
Till now I am using Polymer Modeller from nanohub.org. I works fine for polyethelene samples. But I noticed that for PS it sometimes produces "bad" molecules (open phenyl ring or some bonds to...
24 April 2015 4,284 11 View
I was trying Oplsaa, which worked fine for me for polyethelene. But in the case of PS I had problems because grompp produced many warnings the same type: "No default Angle types, using zeroes"....
22 April 2015 4,608 5 View
Let assume that I would like to create amorphopus polymer sample composed of C32H66 (dotriacontane) chains. I am trying to do it in the following way: 1. Create a single molecule (e.g. in...
04 February 2015 6,474 2 View