On 10/29/18 6:34 AM, Yasser Almeida Hernández wrote:
Dear all,
I am performing CG simulations (Martini) of a membrane protein in an
heterogeneous model bilayer with several lipids, resembling the inner
membrane from E. coli.
Looking in the literature, I have seen that the temperature for
production runs range from 300-330K, which are a big difference in
physiological terms. What temperature would you recommend in my case?
The reference temperature depends on what you want to model, and how
well the force field reproduces the phase transition temperature of the
lipids. If, for example, the force field requires higher temperature for
a lipid type to remain liquid crystalline than it should, you have to
decide if the higher temperature is reasonable or if you should be using
a different force field that is more accurate.
-Justin
--
==================================================
Justin A. Lemkul, Ph.D.
Assistant Professor
Virginia Tech Department of Biochemistry
303 Engel Hall
340 West Campus Dr.
Blacksburg, VA 24061
jalem...@vt.edu | (540) 231-3129
http://www.thelemkullab.com
==================================================
--
Gromacs Users mailing list
* Please search the archive at
http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting!
* Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
* For (un)subscribe requests visit
https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a
mail to gmx-users-requ...@gromacs.org.
