[gmx-developers] implicit solvent free energy

[Gerrit Groenhof]

Hi David,


> 
> 
> In any case:
> - Are other people similarly interested in this?


Not in implementing, but having the GB code working in combination with free energy could be of interest when one wants to address the effects of periodicity and background charge on the free energy. Just not sure if tis would be worth the effort of maintaining the GB code, but I might use it.

Best,
Gerrit

> - Are there any efforts underway to get the GB code to work properly with free energy?
> - What are the problems/obstacles? 
> 
> Thanks!
> David
> 
> 
> -- 
> David Mobley
> dmobley at gmail.com
> 949-385-2436
> -- 
> gmx-developers mailing list
> gmx-developers at gromacs.org
> http://lists.gromacs.org/mailman/listinfo/gmx-developers
> Please don't post (un)subscribe requests to the list. Use the 
> www interface or send it to gmx-developers-request at gromacs.org.

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-developers/attachments/20130830/b8110fbf/attachment.html>