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132 .IX Title "GROMACS 7"
133 .TH GROMACS 7 "" "@VERSION@" "GROMACS Manual"
135 gromacs \- molecular dynamics simulation suite
138 (the Groningen Machine for Chemical Simulations) is a full-featured
139 suite of programs to perform molecular dynamics simulations - in other
140 words, to simulate the behavior of systems with hundreds to millions
141 of particles, using Newtonian equations of motion. It is primarily
142 used for research on proteins, lipids, and polymers, but can be applied
143 to a wide variety of chemical and biological research questions.
145 .IX Header "SYNOPSIS"
147 The following commands make up the GROMACS suite. Please refer to their
148 individual man pages for further details.
151 .SH "ADDITIONAL DOCUMENTATION"
152 .IX Header "ADDITIONAL DOCUMENTATION"
153 Consult the manual at <\fIhttp://www.gromacs.org/content/view/27/42/\fR> for an
154 introduction to molecular dynamics in general and GROMACS in particular,
155 as well as an overview of the individual programs.
157 The shorter HTML reference is available in \fB/usr/share/doc/gromacs/html/\fR .
159 .IX Header "REFERENCES"
160 The development of GROMACS is mainly funded by academic research grants.
161 To help us fund development, the authors humbly ask that you cite the GROMACS papers:
163 H.J.C. Berendsen, D. van der Spoel and R. van Drunen. \fBGROMACS: A message-passing
164 parallel molecular dynamics implementation\fR. Comp. Phys. Comm. \fI91\fR, 43-56 (1995)
166 Erik Lindahl, Berk Hess and David van der Spoel. \fBGROMACS 3.0: A package for
167 molecular simulation and trajectory analysis\fR. J. Mol. Mod. \fI7\fR, 306-317 (2001)
169 B. Hess, C. Kutzner, D. van der Spoel, and E. Lindahl. \fBGROMACS 4: Algorithms for
170 Highly Efficient, Load-Balanced, and Scalable Molecular Simulation\fR. J. Chem. Theory
171 Comput. \fI4\fR, 3, 435-447 (2008), <\fIhttp://dx.doi.org/10.1021/ct700301q\fR>
176 David van der Spoel <spoel@gromacs.org>
178 Berk Hess <hess@gromacs.org>
180 Erik Lindahl <lindahl@gromacs.org>
182 A full list of present and former contributors
183 is available at <http://www.gromacs.org>
185 This manual page is largely based on the GROMACS online reference, and was
186 prepared in this format by Nicholas Breen <nbreen@ofb.net>.
189 GROMACS has no major known bugs, but be warned that it stresses your CPU more
190 than most software. Systems with slightly flaky hardware may prove unreliable
191 while running heavy-duty simulations. If at all possible, please try to
192 reproduce bugs on another machine before reporting them.