[AMBER] Error bad atom Br

From: Fábio Jorge <prifabiojorge.gmail.com>
Date: Sun, 3 Sep 2017 16:43:58 -0300

Hello.I'm trying to run the decomposition by residue but I can not.
I've tried everything! Amber 12, Amber 16, I have refined the
complexes many times, but the same error always appears: bad atom
Br.Below is the error that appears:

Reading command-line arguments and input files...

Loading and checking parameter files for compatibility...

sander found! Using /home/fabio/amber12/bin/sander

mmpbsa_py_energy found! Using /home/fabio/amber12/bin/mmpbsa_py_energy

cpptraj found! Using /home/fabio/amber12/bin/cpptraj

Preparing trajectories for simulation...

4 frames were processed by cpptraj for use in calculation.


Beginning GB calculations with /home/fabio/amber12/bin/sander

calculating complex contribution...

bad atom type: br

CalcError: /home/fabio/amber12/bin/sander failed with prmtop ../complex.top!

Exiting. All files have been retained.

-------------------------------------------------------

Primary job terminated normally, but 1 process returned

a non-zero exit code.. Per user-direction, the job has been aborted.

-------------------------------------------------------

--------------------------------------------------------------------------

mpirun detected that one or more processes exited with non-zero status,
thus causing

the job to be terminated. The first process to do so was:


Process name: [[15156,1],0]

Exit code: 1
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Sun Sep 03 2017 - 13:00:03 PDT
Custom Search