thank so much for your reply. Is there any loop which i can use to
calculate all the residue pair wise interaction energy. So all the data can
be handled.
On Tue, Apr 16, 2019 at 2:29 PM Mark Abraham
wrote:
> Hi,
>
> You have to compute all the pairwise interactions if you want to compare
>
Hi,
You have to compute all the pairwise interactions if you want to compare
all the pairwise interactions.
But I'm deeply skeptical that you can learn anything from this anyway. The
potential energy of typical force fields is not constructed to be
decomposable, and such an analysis neglects the
hi,
Is it possible to calculate pair wise interaction energy of each residue.
My protein consist of 129 residue. Because if i mention each residue as a
group in mdp file then i will get a huge number of data. Which is very
difficult to handle.
Can anyone please suggest me how i can do this.
