[gmx-users] proton proton exchange and constant pH simulations.

[Olga Ivchenko]

Just I heard that molecular mechanics proton proton transfer should be soon
implemented in gromacs. That's why I am, asking it.

2011/1/27 Mark Abraham <Mark.Abraham at anu.edu.au>

> On 27/01/2011 9:44 PM, Olga Ivchenko wrote:
>
>> Dear gromacs users,
>>
>> I want to ask if is it possible to amke proton proton exchange simulations
>> by now and constant pH simulations in new versions of Gromacs.
>>
>
> Not sure what you mean, but probably not. See recent publications from
> Lindahl group for what is possible.
>
> Mark
> --
> 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
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20110127/04e11e52/attachment.html>