GROMACS is written by:
Emile Apol Rossen Apostolov Paul Bauer Herman J.C. Berendsen
Par Bjelkmar Aldert van Buuren Rudi van Drunen Anton Feenstra
Gerrit Groenhof Aleksei Iupinov Christoph Junghans Anca Hamuraru
Vincent Hindriksen Dimitrios Karkoulis Peter Kasson Jiri Kraus
Carsten Kutzner Per Larsson Justin A. Lemkul Viveca Lindahl
Magnus Lundborg Pieter Meulenhoff Erik Marklund Teemu Murtola
Szilard Pall Sander Pronk Roland Schulz Alexey Shvetsov
Michael Shirts Alfons Sijbers Peter Tieleman Teemu Virolainen
Christian Wennberg Maarten Wolf
and the project leaders:
Mark Abraham, Berk Hess, Erik Lindahl, and David van der Spoel
Copyright (c) 1991-2000, University of Groningen, The Netherlands.
Copyright (c) 2001-2017, The GROMACS development team at
Uppsala University, Stockholm University and
the Royal Institute of Technology, Sweden.
check out http://www.gromacs.org for more information.
GROMACS is free software; you can redistribute it and/or modify it
under the terms of the GNU Lesser General Public License
as published by the Free Software Foundation; either version 2.1
of the License, or (at your option) any later version.
GROMACS: gmx enemat, version 2018.8
Executable: /sob/gmx2018.8/bin/gmx
Data prefix: /sob/gmx2018.8
Working dir: /xhm
Command line:
gmx enemat -f rerun.edr -groups r.dat -b 142 -e 142
Opened rerun.edr as single precision energy file
Will read groupnames from inputfile
Read 3 groups
WARNING! could not find group Coul-SR:CNT -CNT (0,0) in energy file
WARNING! could not find group LJ-SR:CNT -CNT (0,0) in energy file
WARNING! could not find group Coul-SR:CNT -r_3_4_5_9_16_17_20_19_24_26_29_23 (0,1) in energy file
WARNING! could not find group LJ-SR:CNT -r_3_4_5_9_16_17_20_19_24_26_29_23 (0,1) in energy file
WARNING! could not find group Coul-SR:CNT -r_14_10_18_27_25_15_22_31 (0,2) in energy file
WARNING! could not find group LJ-SR:CNT -r_14_10_18_27_25_15_22_31 (0,2) in energy file
WARNING! could not find group Coul-SR:r_3_4_5_9_16_17_20_19_24_26_29_23 -r_3_4_5_9_16_17_20_19_24_26_29_23 (1,1) in energy file
WARNING! could not find group LJ-SR:r_3_4_5_9_16_17_20_19_24_26_29_23 -r_3_4_5_9_16_17_20_19_24_26_29_23 (1,1) in energy file
WARNING! could not find group Coul-SR:r_3_4_5_9_16_17_20_19_24_26_29_23 -r_14_10_18_27_25_15_22_31 (1,2) in energy file
WARNING! could not find group LJ-SR:r_3_4_5_9_16_17_20_19_24_26_29_23 -r_14_10_18_27_25_15_22_31 (1,2) in energy file
Will select half-matrix of energies with 2 elements
Reading energy frame 15 time 150.000
Will build energy half-matrix of 3 groups, 2 elements, over 0 frames
Matrix of Coul-SR energy ranges from 10000000000.000000 to -10000000000.000000
Back Off! I just backed up Coul-SRemat.xpm to ./#Coul-SRemat.xpm.1#
Fatal error:
hi (-10000000000.000000) <= lo (0.000000)
For more information and tips for troubleshooting, please check the GROMACS
website at http://www.gromacs.org/Documentation/Errors
-------------------------------------------------------
[root@localhost xhm]#