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Questions related from Yang Wang
What meaning is “Number of contacts < 0.6nm”in gromacs software? I cannot find any meaning in the user manual of Gromacs. Does it mean there exists strong interaction between atoms?
19 January 2017 6,930 4 View
recently, i use gromacs software, but i cannot calculate π-π staking by using this software. thank you very much,my dear friend. the following picture (figure 2e)is an example.
14 January 2017 10,050 6 View
how to construct a topol file on graphene by using gromos54a7 forcefield? Assuming we used gromos54a7 forcefield, not oplsaa forcefield. I just constructed a topol file through building...
14 December 2016 3,021 2 View
can a system containing one protein and two different ligands been simulated by software gromacs? i use two different ligands, that is, one is heme, the other graphene. how to design this...
13 December 2016 2,340 2 View
