This tutorial will provide an example session of setting up a protein for This tutorial uses Gromacs () version and most of the. GROMACS Tutorial for Solvation Study of Spider Toxin Peptide. Yu, H., Rosen, M . Note: You will generate gromacs (*.gro) structure files in this tutorial. To view. GROMACS runs on linux, unix, and on Windows. For this tutorial, we used Gromacs version compiled with FFTW ver libraries. Synopsis. In this tutorial.

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Final release of the 4. Superseded in utopic -release on Drop Build-Depends on dpatch, add on hardening-wrapper.

Change log : gromacs package : Ubuntu

Available diffs diff from 4. Remove specific listing of MPI packages from description of gromacs-dev.

Replace ” C ” with “Copyright”, update dates. Available diffs diff from to Obsolete in edgy -release on Override debhelper-but-no-misc-depends for gromacs-data and gromacs-lam. Delete, incorporated above commit c93dbaf09cfe4b2b8f57b14a5ad1e6cc7.


Superseded in yakkety -release on Superseded in jaunty -release on Increment Standards-Version to 3. Superseded in trusty -release on Thanks again to Drew Parsons.

Molecular Dynamics Hands-on Session I

Published in artful -release on Available diffs diff from 5. Increment S-V to 3.

Thanks to Dann Frazier for catching it. Superseded in natty -release on Bump Standards-Version to 3. Published in trusty -release on PDF manual is built once again, and doxygen output for developer use is included. Drop obsolete B-D on lesstif2-dev.

Change log for gromacs package in Ubuntu

Deleted in trusty -proposed Reason: Deleted in zesty -proposed on Reason: Available diffs diff from Update to 33.3 36dfc11d1baeaf8effd. This is a workaround for a libmpich2-dev bug, Set Priority to optional.

Update list of architectures for gromacs-openmpi, adding armel, armhf, powerpcspe, and sparc Published in disco -release on Convert from autotools to new CMake build system. Obsolete in feisty -release on Build against openmpi on ppc64el and arm Thanks again to Manuel Prinz.


Update to recognize -betaX tarballs and ignore -GPU builds.

Superseded in gutsy -release on Obsolete in utopic -release on Superseded in karmic -release on Create man page for new binary. Obsolete in intrepid -release on Deleted in artful -proposed on Reason: Update macros for lintian cleanliness. Obsolete in gutsy -release on This changes the test to pass along LIBS appropriately.

Superseded in xenial -release on Necessary for current Ubuntu build environment. Tidy up with DEP-3 headers. Add preliminary support for building GPU-accelerated binaries: Superseded in oneiric -release on Superseded in hardy -release on