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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Superseded in edgy -release on Gromacz in artful -proposed on Reason: Obsolete in wily -release on Spotted by Pierre Habouzit. Update Standards-Version to 3. Deleted in disco -proposed Reason: Add LDFLAGS to -lam and -openmpi builds with -L arguments to their respective library directories, exclusive of update-alternatives trickery, in order to prevent accidental cross-linking.


Change log for gromacs package in Ubuntu

Pull from upstream git repository, release Create and set explicitly to 1. Available diffs diff from 3.

Superseded in quantal -release on Also enable NEON for arm Deleted mankal zesty -proposed on Reason: Available diffs diff from build1 in Ubuntu to Various minor spelling and header fixes. Several Build-Depends-Indep entries added to support this.

Superseded in artful -release on Eliminate unneeded Build-Depends on libxml-dev. Published in cosmic -release on Thanks again to Manuel Prinz.

Change log : gromacs package : Ubuntu

Obsolete in utopic -release on Obsolete in oneiric -release on Superseded in wily -release on Replace ” C ” with “Copyright”, update dates. PDF manual is built once again, and doxygen output for developer use is included.

Obsolete 3.33 lucid -release on Thanks again to Drew Parsons.

Thanks to Manuel Prinz for assistance. Bump Standards-Version to 3. Update feature summary URL in package description, and add Homepage field.


Reported upstream at http: The shipped HTML documentation is slowly being eliminated in favor of a wiki on gromacs. Convert from autotools to new CMake build system. Patch courtesy of James Westby. Obsolete in hardy -release on Deleted in yakkety -proposed on Reason: Deleted in bionic -proposed on Reason: Superseded in feisty -release on .33.3 Create man page for new binary.

Deleted in bionic -proposed Reason: