[gmx-users] Free energy calculation
Sheikh Imamul Hossain
s.imamul.ku at gmail.com
Thu Sep 21 01:23:19 CEST 2017
Hi Michael,
Thank you for your valuable advice.
Regards
Imamul
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
On Thu, Sep 21, 2017 at 8:50 AM, Michael Shirts <mrshirts at gmail.com> wrote:
> 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.
> > Regards
> > Imamul
> >
> > --
> >
> > 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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