Re: [gmx-users] B-factor to large? Input for TLS

Hi Mark, Thanks for your reply. I will check if the reference structure and the trajectory fit. Cheers Henrey On Mon, Nov 7, 2011 at 9:15 PM, Mark Abraham mark.abra...@anu.edu.au wrote: On 5/11/2011 11:05 AM, Henri Mone wrote: Dear Gromacs Users and Experts, I want to calculate from my xtc

Re: [gmx-users] B-factor to large? Input for TLS

On 5/11/2011 11:05 AM, Henri Mone wrote: Dear Gromacs Users and Experts, I want to calculate from my xtc trajectory the B-factor and the anisotropic temperature factor. I'm using following gromacs command: $ g_rmsf -f traj.xtc -o rmsf.xvg -oq bfac.pdb -ox bfac2.pdb -s structure.pdb Does

[gmx-users] B-factor to large? Input for TLS

Dear Gromacs Users and Experts, I want to calculate from my xtc trajectory the B-factor and the anisotropic temperature factor. I'm using following gromacs command: $ g_rmsf -f traj.xtc -o rmsf.xvg -oq bfac.pdb -ox bfac2.pdb -s structure.pdb I want to input the resulting PDB file to the TLS