From: Francesco Pietra (chiendarret_at_gmail.com)
Date: Wed Sep 06 2017 - 01:36:16 CDT
Hallo:
I am looking for help about the following error while running a FEP
simulation:
WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 149500
colvars: Synchronizing (emptying the buffer of) trajectory file
"frwd-01_0.colva
rs.traj".
colvars: Writing the state file "frwd-01.colvars.state".
colvars: Synchronizing (emptying the buffer of) trajectory file
"frwd-01_0.colva
rs.traj".
colvars: Writing the state file "frwd-01.colvars.state".
colvars: Too many iterations in routine jacobi.
colvars: No such file or directory
FATAL ERROR: Error in the collective variables module: No such file or
directory
[0] Stack Traceback:
thanks
francesco pietra
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