Hi,
I have two questions that may seem quite simple, but I haven't found clear
answers to them. It has to do with the md simulation parameters of a
solvated protein/membrane system.
The first question is about temperature. Some papers simulate at 300 K,
others at 298 K, and others at physiological temperature (310 K). I decided
that simulating at 310 K gives the most "realistic" picture of the system,
as that is biological temp. Why do many studies use 300 K? Is it incorrect
to use 310 K for this system? The goal of my work is solely to simulate a
GPCR and perform virtual screening on it.
I also decided to simulate the system at physiological salt concentration
(.15 M [NaCl]). Will this alter the conformation of my protein
significantly?
Thanks,
Max Macaluso
_______________________________________________
gmx-users mailing list gmx-users@gromacs.org
http://www.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at http://www.gromacs.org/search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to [EMAIL PROTECTED]
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
