[gmx-users] Free energy calculation
mrshirts at gmail.com
Thu Sep 21 00:50:05 CEST 2017
You don't have a well-posed scientific question yet. Come back when you've
thought about the hypotheses you want to test, and have written out what
you are planning to do. Try to do the calculations yourself, and come back
if they are not working. This is a help discussion forum for people who
are having trouble running Gromacs. You haven't gotten to the point you
are running gromacs yet!
On Wed, Sep 20, 2017 at 4:13 PM, Sheikh Imamul Hossain <
s.imamul.ku at gmail.com> wrote:
> Hi All,
> I am interested to calculate the free energy of coarse-grained lipid
> monolayer which contains CG lipid, cholesterol, water and nanoparticles.
> Any suggestions regarding Metadynamics or Umbrella sampling? Any tutorial
> that will be helpful for learning? I am trying Metadynamics learning with
> Belfast tutorial: plumed and umbrella with Bevan Lab.
> Thanks in advanced.
> Sincerely Your’s
> *Sheikh Imamul Hossain*
> PhD Research Student
> Mechanical Engineering | School of Chemistry, Physics and Mechanical
> Engineering | Faculty of Science and Engineering | Queensland University of
> Technology| 2 George St Brisbane | GPO Box 2434 Brisbane, Queensland,
> Australia 4001
> phone: +61407258933 Office Email: s2.hossain at .qut.edu.au
> Office: P701B, P Block, Gardens Point
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