[gmx-users] harmonic restraints
x.periole at rug.nl
Thu Mar 4 15:28:06 CET 2010
It is not sure what you mean: if you wonder how it is done in Martini
(explained in the paper) or if like to add some yourself.
Regular bonds are generally used!
On Mar 4, 2010, at 6:15, Ajeeta kaushiki <ajeetakaushiki at gmail.com>
> Dear Sir
> I am doing a coarse grain MD of a membrane protein using Martini
> force field and parameters . In course I am facing problem in
> understanding " how the harmonic restraints will be applied to mimic
> secondary structure H- Bonds of the atomic structure to the coarse
> grain model to maintain secondary structure element " . Is this will
> be specified in the 'mdp' file .
> Thanks & Regards
> gmx-users mailing list gmx-users at gromacs.org
> Please search the archive at http://www.gromacs.org/search before
> Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/mailing_lists/users.php
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the gromacs.org_gmx-users