[gmx-users] MD simulations in the presence of osmolytes

[XAvier Periole]

That would be a question for the developers of the force fields. You can start by a google search of the osmolytes and force filed keywords ... 

> On Nov 19, 2013, at 2:23, Amjad Farooq <amjad at farooqlab.net> wrote:
> 
> Hi everyone,
> 
> I am wondering whether it is possible to conduct MD simulations on a
> protein system in the presence of osmolytes such as TMAO and sucrose using
> an explicit water model.
> 
> If not, how could this be implemented?
> 
> Does any of the force fields available in GROMACS support the inclusion of
> any of these osmolytes?
> 
> Thank you for your input.
> 
> 
> 
> 
> *AMJAD FAROOQ PhD DIC | Associate ProfessorDept of Biochemistry & Molecular
> Biology | Miller School of Medicine | University of Miami | Miami | FL
> 33136Located @ Gautier Building #217 | Mail @ 1011 NW 15th Street #217,
> Miami , FL 33136 amjad at farooqlab.net <amjad at farooqlab.net> | off
> 305-243-2429 | lab 305-243-9799 | fax 305-243-3955 | www.farooqlab.net
> <http://www.farooqlab.net>*
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