[gmx-users] EM curve question

Mark Abraham mark.abraham at anu.edu.au
Tue Dec 20 13:18:58 CET 2011



On 20/12/11, parto haghighi  <parto.haghighi at gmail.com> wrote:
> Dear GMX-users
> I am working on lipid-drug system.I have done these stages:
> 1.creating topology for drug and lipid
> 2.solvation
> 3.Ion addition
> 4.Energy minimization
> 5.NVT
> My question is,why does the energy and temperature curves converge to
> zero(I have used 320 K for my temperature in mdp file)?
> 


You've done something wrong, but on the available information we can't tell if you aren't modelling what you think you're modelling, or aren't observing what you think you're observing, or both.


Mark
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