[gmx-users] GAP parameter
Osmair Vital de Oliveira
osmair at qt.dq.ufscar.br
Wed Aug 15 12:05:20 CEST 2007
Thank you and sorry. From parameters of oplsaa and quantum calculations, I
have been building all force field parameters for GAP.
On Fri, 17 Aug 2007, Mark Abraham wrote:
> Osmair Vital de Oliveira wrote:
> > Dear Mark,
> > Thank you for the helpful!!. For instance, I have been working with
> > molecular dynamics simulation using gromacs for five years...
> > Therefore, my ask is an thoughtful question. Contrary with your
> > answer..
> You didn't technically ask a question :-) In order to maximise your
> chances of getting free help, you don't need to be ingratiating, but you
> should be trying to show respect for your readers' time and expertise by
> expressing yourself clearly. An email like
> "Hi, I've been doing molecular dynamics with GROMACS for five years and
> want to simulate system <xxx>. I know I could generate a topology for
> D-glyceraldehyde-3-phosphate for forcefield <yyy> by hand, but was
> wondering whether anybody in the GROMACS community has one already
> they'd be willing to share?"
> Now people know exactly what you want and why, and might answer
> "Yes, but only for forcefield <zzz>"
> "No, and by the way, forcefield <qqq> might be superior for <technical
> "No, but <vvv> published a simulation in journal <www> with a similar
> molecule and you could try contacting them"
> "No, but you could check out
> http://wiki.gromacs.org/index.php/Steps_to_Perform_a_Simulation and
> http://wiki.gromacs.org/index.php/Parameterization for some advice on
> generating topologies."
> ... and they'd be more motivated to give such thoughtful help if they
> get a thoughtful question.
> Cheers :-)
> > On Fri, 17 Aug 2007, Mark Abraham wrote:
> >> Osmair Vital de Oliveira wrote:
> >>> Hi,
> >>> Somebody has force field parameters of the D-glyceraldehyde-3-phosphate
> >>> (GAP).
> >> If you want to ask a question, please ask an thoughtful question. You
> >> should probably also check out
> >> http://wiki.gromacs.org/index.php/Steps_to_Perform_a_Simulation and
> >> http://wiki.gromacs.org/index.php/Parameterization
> >> Mark
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