GROMACS is written by:
Emile Apol Rossen Apostolov Paul Bauer Herman J.C. Berendsen
Par Bjelkmar Christian Blau Viacheslav Bolnykh Kevin Boyd
Aldert van Buuren Rudi van Drunen Anton Feenstra Alan Gray
Gerrit Groenhof Anca Hamuraru Vincent Hindriksen M. Eric Irrgang
Aleksei Iupinov Christoph Junghans Joe Jordan Dimitrios Karkoulis
Peter Kasson Jiri Kraus Carsten Kutzner Per Larsson
Justin A. Lemkul Viveca Lindahl Magnus Lundborg Erik Marklund
Pascal Merz Pieter Meulenhoff Teemu Murtola Szilard Pall
Sander Pronk Roland Schulz Michael Shirts Alexey Shvetsov
Alfons Sijbers Peter Tieleman Jon Vincent 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) 2001-2018, 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 grompp, version 2019.5
Executable: D:\gmx2019.5_GPU\bin\gmx.exe
Data prefix: D:\gmx2019.5_GPU
Working dir: E:\MD\pep
Command line:
gmx grompp -f minim.mdp -c water1.gro -o water.tpr -n index.ndx -p topol.top
Replacing old mdp entry 'nstxtcout' by 'nstxout-compressed'
NOTE 1 [file minim.mdp]:
You are applying a switch function to vdw forces or potentials from 0 to
1 nm, which is more than half the interaction range, whereas switch
functions are intended to act only close to the cut-off.
Setting the LD random seed to 226648481
Generated 25122 of the 25200 non-bonded parameter combinations
Generating 1-4 interactions: fudge = 1
Generated 22005 of the 25200 1-4 parameter combinations