[gmx-users] Re: Details of umbrella sampling simulation

[Kieu Thu Nguyen]

Thank JW so much :-)


On Wed, Jun 12, 2013 at 10:30 PM, JW Gibbs <hanniballecter13 at gmail.com>wrote:

> Hi,
>
> Please see the following links:
>
>
> http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/gmx-tutorials/umbrella/
>
> http://wires.wiley.com/WileyCDA/WiresArticle/wisId-WCMS66.html
>
> I think you will understand the concept of the pulling force once you go
> through either of the links.
> It's basically the force to restraint a particular collective variable
> around a certain value for sampling around that region in phase space.
>
>
>
> --
> View this message in context:
> http://gromacs.5086.x6.nabble.com/Details-of-umbrella-sampling-simulation-tp5009113p5009116.html
> Sent from the GROMACS Users Forum mailing list archive at Nabble.com.
> --
> gmx-users mailing list    gmx-users at gromacs.org
> http://lists.gromacs.org/mailman/listinfo/gmx-users
> * Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
> * 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/Support/Mailing_Lists
>