[gmx-users] 2D projection and corresponding conformation

xi zhao zhaoxiitc2002 at yahoo.com.cn
Wed Jun 11 08:04:54 CEST 2008

Dear user:
  We know that observing the sampled conformations in the subspace spanned by the eigenvectors is a so-called two-dimensional projection(2D projection), in 2-D projection, each point represents a snapshot from the simulation, and the distribution shows the sampled region along the first two eigenvectors during the simulation. But I feel confounded, because I do not know to how to obtain corresponding conformation for each point in the 2-D projection. Some papers can show these corresponding conformation. Please help me! 

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