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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Published in precise -release on Superseded in utopic -release on Various minor spelling and header fixes. Add chrpath to Build-Depends. Deleted in zesty -proposed on Reason: Deleted in utopic -proposed on Reason: Available diffs diff from Resynchronize with upstream mdrun. Add openmpi-bin to Build-Depends.

Change log : gromacs package : Ubuntu

This addresses but is not a complete fix. Incorporated upstream, patch removed.

Available diffs diff from 3. Superseded in gutsy -release on Also remove some old Breaks: Create man page for new binary. Superseded in hardy -release on Set Priority to optional.


Drop Build-Depends on dpatch, add on hardening-wrapper. Available diffs diff from 5.

Deleted in artful -proposed Reason: This changes the test to pass along LIBS appropriately. Add LDFLAGS to -lam and -openmpi builds with -L arguments to their respective library directories, exclusive of update-alternatives trickery, in order 33.3 prevent accidental cross-linking.

Molecular Dynamics Hands-on Session I

Superseded in bionic -release on Superseded in oneiric -release on Bump Standards-Version to 3. Patch courtesy of James Westby. Update to commit a51f87ffc6ef9e07a2a2dc This is a workaround for a libmpich2-dev bug, Available diffs diff from build1 in Ubuntu to Available diffs diff from in Debian to build1 bytes. Published in trusty -release on Available diffs diff from 4.


Change log for gromacs package in Ubuntu

Deleted in saucy -proposed on Reason: Superseded in yakkety -release on Gromavs out, replace with fresh pull starting at the 4. Superseded in cosmic -proposed on Obsolete in vivid -release on Thanks to Manuel Prinz for assistance.


Superseded in quantal -release on Thanks to Dann Frazier for catching it. Tidy up with DEP-3 headers.

Reported upstream at http: Obsolete in natty -release on Update feature summary URL in package description, and add Homepage field.

Superseded in precise -release on Obsolete in maverick -release on Update list of architectures for gromacs-openmpi, adding armel, armhf, powerpcspe, and sparc This is preliminary work and may manul be complete. Superseded in yakkety -proposed on Update to commit 36dfc11d1baeaf8effd.

Update macros for lintian cleanliness. Deleted in disco -proposed Reason: Superseded in edgy -release on Deleted in bionic -proposed Reason: Superseded in cosmic -release on Obsolete in karmic -backports on The shipped HTML documentation is slowly being eliminated in favor of a wiki on gromacs.

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