1-octanol

The package viewer shows the meta data for the package and the available versions, i.e. the history of the parameters. Note that files can differ between versions, in which case the SHA1 checksum after the filename will differ. You can read and add comments for a particular version through the View discussion button on each version.

If you are the curator of a package (i.e. you added it) and you are logged in then you can also edit the package.

Lipid	1-octanol (1OCT) Pubchem CID:957
Forcefield	GROMOS43a1
Code	Gromacs
Authors	David van der Spoel
Licence
Curator	Oliver Beckstein
Abstract	Parameters were copied and pasted from David van der Spoel's message on the gromacs-users mailing list [gmx-users] Do I need to add hydrogens?. From the context it appears that these parameters are to be used with GROMOS96 ffG43a1 but this is not explicitly stated. USE AT YOUR OWN RISK.

References

David van der Spoel, unpublished http://lists.gromacs.org/pipermail/gmx-users/2004-January/008966.html (2004), [no doi], [no pubmed id]
Primary Experimental

Versions

Version	1
Topology	octanol.itp 38522ff06a840e17aa52c9182a9238a5bc7c4dea
Parameters
PDB structure
Bilayer structure
View discussion New comments 0 (1 overall) Download (.zip)