[gmx-users] NPT.mdp parameters NOTE

[Peter C. Lai]

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.
> 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 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 used?
> 

> -- 
> gmx-users mailing list    gmx-users at gromacs.org
> http://lists.gromacs.org/mailman/listinfo/gmx-users
> Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
> Please don't post (un)subscribe requests to the list. Use the 
> www interface or send it to gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/Support/Mailing_Lists


-- 
===============================================================
Peter C. Lai                 | University of Alabama-Birmingham
Programmer/Analyst           | BEC 257
Genetics, Div. of Research   | 1150 10th Avenue South
pcl at uab.edu                  | Birmingham AL 35294-4461
(205) 690-0808               |
===============================================================