AMBER: "matrix" in ptraj

From: Sichun Yang <>
Date: Fri, 23 Apr 2004 18:19:28 -0700 (PDT)

Dear all,

I am trying to corvariance matrix by ptraj.

The action "rms" is fine.
But when I used "matrix", there is no output at all.
Any suggestion is welcome.

Here is my input:

 reference native.prmcrd
 trajin all.dcd
 rms reference mass :2-117.CA,C,N
 center :2-117 mass origin
 image origin center
 matrix covar .CA out distmat.dat

have a nice weekend.


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Received on Sat Apr 24 2004 - 02:53:00 PDT
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