Hello,
I want to calculate the number of water molecules participating in inter
chain hydrogen bonds between multiple chains that are associating in
concentrated aqueous solution.
My system contains multiple polymer chains, water molecules and
counterions.
I also want to calculate the bound water
Dear Gromacs Users
I want to examine the distribution of counterions in my system at larger
length scales comparable to the size of the molecule. I have used RDF's to
find the distribution of ions till half the box size. Can I consider half
the box size as larger length scale ?
I have found in a
Dear all,
I have used the radial distribution functions to examine the structure and
distribution of ions in the proximity of the polyelectrolyte and studied
the spation distribution of ions at the smallest length scales.
I have to now examine the distribution of counterions at larger scale as
Dear GROMACS Users,
I am trying to visualize the simple polyethylene chains (multiple chains)
consisting of certain number of atoms generated using RIS theory using VMD.
I'm using the PDB format to express coordinates to visualize my chains. The
chains are very random and at some points multiple
