Re: [gmx-users] Fwd: clustering based on side-chain conformations

Dear Justin, Thanks for your immediate reply. Is it possible to do clustering based on side-chain RMSF in gromacs? What about dihedral angle order parameters in gromacs?. Does it provide any information about what I want to know? Thanking you once again regards Anu On Mon, Apr 1, 2013 at

Re: [gmx-users] Fwd: clustering based on side-chain conformations

On 4/2/13 4:58 AM, anu chandra wrote: Dear Justin, Thanks for your immediate reply. Is it possible to do clustering based on side-chain RMSF in gromacs? Not that I'm aware of. What about dihedral angle order parameters in gromacs?. Does it provide any information about what I want to

[gmx-users] Fwd: clustering based on side-chain conformations

Dear amber users, I am working with protein-ligand interaction. The protein shows high degree of side-chain conformational changes and minimal backbone conformational changes during ligand binding. In order to capture these side chain flexibility, as a initial step, I would like to do clustering

Re: [gmx-users] Fwd: clustering based on side-chain conformations

On Mon, Apr 1, 2013 at 4:52 AM, anu chandra anu80...@gmail.com wrote: Dear amber users, I am working with protein-ligand interaction. The protein shows high degree of side-chain conformational changes and minimal backbone conformational changes during ligand binding. In order to capture