AMBER Archive (2004)

Subject: AMBER: "matrix" in ptraj

From: Sichun Yang (syang_at_physics.ucsd.edu)
Date: Fri Apr 23 2004 - 20:19:28 CDT

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_at_CA,C,N
 center :2-117 mass origin
 image origin center
 matrix covar @CA out distmat.dat

have a nice weekend.

Best,
Sichun

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