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

[Amjad Farooq]

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>*