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
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Wed May 18 2005 - 05:53:00 PDT
