[gmx-users] Re: NPT simulation

ms devicerandom at gmail.com
Mon Aug 30 17:17:26 CEST 2010

On 30/08/10 01:19, Justin A. Lemkul wrote:

>> Is it wrong?
> No, exactly as I have explained in the follow-up message to this post. I
> was trying to tie this concept into the OP's original observations and
> attempts to quantify his results with respect to energetics of
> individual molecules.

Thanks a lot -for a minute I was pretty perplexed :)


More information about the gromacs.org_gmx-users mailing list