[gmx-users] NPT.mdp parameters NOTE

Dear Dr.Justin 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 ensemble. When I use a npt file with these settings,there is a Note as following: sorry,i can't

Re: [gmx-users] NPT.mdp parameters NOTE

He told me you can use up to 0.5 in an off-list email and in fact, does so in the KALP-15 in DPPC example... On 2011-04-10 02:54:15AM -0500, mohsen ramezanpour wrote: Dear Dr.Justin As you have noticed in your tutorials,It is better to use Nose-Hoover for tempreture in the NPT.mdp file.