[gmx-users] NPT.mdp parameters NOTE
ramezanpour.mohsen at gmail.com
Sun Apr 10 09:54:15 CEST 2011
As you have noticed in your tutorials,It is better to use Nose-Hoover for
tempreture in the NPT.mdp file.
You have used tau-t = 0.1 in most of your md.mdp files for generating npt
When I use a npt file with these settings,there is a Note as following:
sorry,i can't remember the exact messge but :it says it is better to use a
tau_t 20 times of another quantity,
in my work the quantity=0.01
When I made tau_t=0.2 there was not any Note!
Can I ignore this Note?Is it safe continuing with the same tau_t=0.1 as you
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the gromacs.org_gmx-users