AMBER Archive (2006)

Subject: AMBER: ptraj PCA

From: Marcela Madrid (mmadrid_at_psc.edu)
Date: Thu Jan 19 2006 - 19:04:46 CST

  hi,

I am trying to calculate principal component analysis on a
  correlation matrix. I got the correlation matrix without problem but
  when I do the PCA I get the following message:
  PTRAJ: Analyzing accumulated data
  Floating exception (core dumped)

  I am using amber8 and I am using the test for ptraj that comes with the
  distribution. The commands that I am using are:

  matrix name matrix.memory correl byres mass out matrix.correl
  analyze matrix matrix.memory out pca vecs 5

  I get the matrix.correl with the correlated motions.
  Can you please tell me what I am doing wrong? thanks, Marcela

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