AMBER Archive (2009)

Subject: [AMBER] How to change the input matrix for "analyze matrix" instruction?

From: cyk5056 (cyk5056_at_163.com)
Date: Tue Nov 17 2009 - 22:37:43 CST

Hi Amber users,
  I am using ptraj to get the correlation matrix of a trajectory and then use "analyze matrix" to diagonalize it. It works fine.
  However, I am now trying to analyze several trajectories and I get the average matrix of them by external software(Matlab). Then I do not know how to apply this matrix as the input of "analyze matrix" instruction. As far as I know, that instruction can only accept correlation matrix that is calculated for a certain trajectory, not matrix from outside. How can I use the matrix I made as the input of "analyze matrix"? Or any other suggestions?
  Thank you very much!!

  Best,

cyk5056
2009-11-18
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