On Thu, Oct 30, 2014 at 5:55 AM, rama david ramadavidgr...@gmail.com wrote:
Dear Friends,
I search the archive to find the answer of my question but I did not get
satisfied answer so I am putting the question in forum.
One of them is as
Hi,
to the best of my knowledge,
Molecular Dynamics is not the best way to study system stabilized by
Pi-Pi or Pi-Cataion interaction.
However,in MD people usually overpolarized C-C and C-H bonds to
increase the quadrupole interactions, and thus, mimic the Pi-Pi
interaction
See
Dear Ivan,
Thank you. I also think what you are saying that is right.
I will also goes through the article. Thank you for article
I actually run the system with simple Gromos96 5316 FF and amber 03 ff. I
dont think it will
help me
With regards,
Rama David
On Thu, Oct 30, 2014 at 2:27
On 10/30/14 4:57 AM, Ivan Gladich wrote:
Hi,
to the best of my knowledge,
Molecular Dynamics is not the best way to study system stabilized by Pi-Pi or
Pi-Cataion interaction.
However,in MD people usually overpolarized C-C and C-H bonds to
increase the quadrupole interactions, and thus,
On 10/30/14 7:54 AM, rama david wrote:
Dear Ivan,
Thank you. I also think what you are saying that is right.
I will also goes through the article. Thank you for article
I actually run the system with simple Gromos96 5316 FF and amber 03 ff. I
dont think it will
help me
I honestly
Dear justin,
Thank you for suggestion.
I did the docking of peptide ligand and receptor and I found the
pi-pi and pi- cation interaction and hydrogen bond.
Now if I do the MD it is hard to claim the pi-pi and pi-cation
interaction through md.
If I do the md will it help me ? will
On 2014-10-30 13:10, Justin Lemkul wrote:
On 10/30/14 4:57 AM, Ivan Gladich wrote:
Hi,
to the best of my knowledge,
Molecular Dynamics is not the best way to study system stabilized by
Pi-Pi or
Pi-Cataion interaction.
However,in MD people usually overpolarized C-C and C-H bonds to
increase
On 10/30/14 8:39 AM, rama david wrote:
Dear justin,
Thank you for suggestion.
I did the docking of peptide ligand and receptor and I found the
pi-pi and pi- cation interaction and hydrogen bond.
Now if I do the MD it is hard to claim the pi-pi and pi-cation
interaction
Dear Friends,
I search the archive to find the answer of my question but I did not get
satisfied answer so I am putting the question in forum.
One of them is as
http://comments.gmane.org/gmane.science.biology.gromacs.user/51771
I want to study the MD simulation of Ligand and Receptor that is
