Yuyang Wang

4 Questions 2 Answers 0 Followers

Questions related from Yuyang Wang

How could I get the complete pcff forcefield datafile?

Recently, I have been studying the dynamic properties of theromplastic polyurethane elastomer in the molecular level with the help of lammps. However, when the molecular arcitecture modeled in the...

14 April 2021 896 1 View

How can I fix the density of system in coarsed grain simulation?

In the process of obtaining the nonbond potential of the Coarse-grained(CG) model, I need to simulate the CG model mapped from the conformation of all atom(AA). AA simulation process is...

03 January 2021 4,064 1 View

How could I testify whether my CG method is correct?

I am trying to fitting the bond probability distribution of coarse-grained model of polyethylene(PE) with small polymeric system for understanding the process of coarsed-graining and IBI method....

12 December 2020 5,975 0 View

Mapping coarse-grained model from all atom model?

Hello everyone, I am a beginner in Coarse-grained modeling. My original purpose is converting the all atom model for PU by MS into the coarse grained model. However, I have no idea what tools I...

28 September 2020 4,339 2 View