Re: [gmx-users] Number of ligand contacts over the trajectories

Thanks a lot for reply. On Mon, Oct 14, 2013 at 12:34 PM, bipin singh bipinel...@gmail.com wrote: g_mindist with -on and -d option. On Mon, Oct 14, 2013 at 11:37 AM, anu chandra anu80...@gmail.com wrote: Dear Gromacs users, I am working with protein-ligand interaction. I would like

[gmx-users] Number of ligand contacts over the trajectories

Dear Gromacs users, I am working with protein-ligand interaction. I would like to calculate the number of contacts ligand make with the protein within a specific cut off ( say within 3.5 to 4.5 angstroms), along the simulation trajectories. Is there any Gromacs analysis script, which can help me

Re: [gmx-users] Number of ligand contacts over the trajectories

g_mindist with -on and -d option. On Mon, Oct 14, 2013 at 11:37 AM, anu chandra anu80...@gmail.com wrote: Dear Gromacs users, I am working with protein-ligand interaction. I would like to calculate the number of contacts ligand make with the protein within a specific cut off ( say within