AMBER Archive (2005)

Subject: AMBER: error with ptraj

From: Xiaowei (David) Li (xl3a_at_virginia.edu)
Date: Tue May 17 2005 - 23:27:33 CDT

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.
Thanks.

Best,
Xiaowei Li
Univeristy of Virginia
 
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