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
best
Albert
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