AMBER: error with ptraj

From: Xiaowei (David) Li <"Xiaowei>
Date: Wed, 18 May 2005 00:27:33 -0400

Dear AMBER users:
   When I used ptraj to peform quasiharmonic analysis, I got following
error message:
ERROR in readAmberTrajectory(): Set #1001 is corrupted ( 7.217 -2.367)...

 The script for ptraj is:
 trajin 10pdAdTGBMD.mdcrd
 matrix mwcovar name dAdT.matrix out dAdT.matrix
 analyze matrix dAdT.matrix out dAdT.mode vecs 200

Before analysis of the trajectories using ptraj, 100ps MD simulation
with GB model was carried out.

Xiaowei Li
Univeristy of Virginia
The AMBER Mail Reflector
To post, send mail to
To unsubscribe, send "unsubscribe amber" to
Received on Wed May 18 2005 - 05:53:00 PDT
Custom Search