moldyn / clustering Goto Github PK

Hello,

Is it possible to have an example of the coords file ?

This link doesn't work:

wget http://www.moldyn.uni-freiburg.de/software/aib9.pca.reduced.bz2

I use gromacs to compute trajectory. How should I process to use your program ?

Thank you,
Adam

Having states which are never left (so-called "sinks") results in unexpected lumping.

The module clustering stats does not calculate entered correctly for concatenated trajectories.

Thank you for developing this nice clustering workflow.

I am currently playing around with the code. I just want to check that, in the documentation page it is said that the input coordinate file should not exceed 10 dimensions, but I briefly checked the source code and it seems there is not a hard limit on the number of dimensions the program takes in. So is this statement mainly for speed reasons rather than an actual limitation?