AMBER: ptraj analysis

From: Tatyana B Mamonova <>
Date: Mon, 28 Mar 2005 12:24:55 -0500 (EST)

Dear Amber users,
I am trying to do trajectory analysis using Ptraj (matrix) (I am using Ptraj from Amber8). My trajectory file was generated from AMBER7/sander (PME), and it recorded the coordinates of one macromolecule. The following are what I did and used. I was hoping that you could help me.
 trajin mytrajectory
 rms first .CA
 matrix covar name mcovar .CA out mcovar.dat
 analyze matrix mcovar out evec.pev vecs 5
 PTRAJ: Analyzing accumulated data
  ** On entry to DGEMV parameter number 3 had an illegal value
Thanks a lot,

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Received on Mon Mar 28 2005 - 18:53:00 PST
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