[gmx-users] why it is so slow

Albert mailmd2011 at gmail.com
Fri Nov 2 16:08:27 CET 2012

On 11/02/2012 04:02 PM, Justin Lemkul wrote:
> I wasn't suggesting that you use NPT, I was merely pointing out that 
> you made an statement that wasn't true and thought I would mention it.
> It looks like you have other issues to deal with.
> -Justin

Hello Justin:

  thanks a lot for such kind reply.
  What's the left problems are there? I just remember that in an old 
gromacs mailist thread some one mentioned that NPT would be better for 
REMD. However, I am using GBSA solvent model, do you think NPT is also 
better than NVT?

I never done REMD before.

Thank you very much

More information about the gromacs.org_gmx-users mailing list