On 11/11/16 03:53, Mijiddorj Batsaikhan wrote:
Dear gmx users,
I simulated several peptide's folding. I would like to know the effects of
hydrophobic interaction for the folding. How can I make analysis and know
the effect of hydrophobic interaction?
Is it possible to assess the hydrophobic inte
Dear gmx users,
I simulated several peptide's folding. I would like to know the effects of
hydrophobic interaction for the folding. How can I make analysis and know
the effect of hydrophobic interaction?
Is it possible to assess the hydrophobic interaction using short range Van
der Waals force?
On 5/13/16 8:23 AM, Nikhil Maroli wrote:
We can analyse hydrogen bond numbers, what about total hydrogen bond
energy between two molecules over time like that in case of hydrophobic
There is no such energy term. A hydrogen bond is largely electrostatic, though,
so short-range Coulombic ener
We can analyse hydrogen bond numbers, what about total hydrogen bond
energy between two molecules over time like that in case of hydrophobic
interaction,is there any possibility to know the energy involved in the
process
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hi
Its hydrophobic effect, Nikhil. And you can make index of hydrophobic
groups in your protein, then calculate distance between them.
On Thu, May 12, 2016 at 11:03 PM, Nikhil Maroli wrote:
> Dear all,
>
> is there any option in gromacs to study the hydrophobic interaction between
> the two mole
Dear all,
is there any option in gromacs to study the hydrophobic interaction between
the two molecule over the simulation time !
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Ragards,
Nikhil Maroli
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