[gmx-users] sequentially fitting each frame of one trajectory to each frame of another trajectory

Dear GROMACS list, I used minVar to remove global rotations and translations from a trajectory, but due to memory issues I used a replica with only the backbone of the protein. Now I want to fit each frame of the original protein trajectory to the respective frame of the processed backbone

Re: [gmx-users] sequentially fitting each frame of one trajectory to each frame of another trajectory

Hey Thomas, No, there is no such tool. Sorry. May I ask how you did the MinVar fitting? Cheers, Tsjerk On Mon, Jun 17, 2013 at 12:55 PM, Thomas Evangelidis teva...@gmail.comwrote: Dear GROMACS list, I used minVar to remove global rotations and translations from a trajectory, but due to

Re: [gmx-users] sequentially fitting each frame of one trajectory to each frame of another trajectory

Hi Tsjerk, Here's the command line: minVar -s backbone.pdb -f backbone.xtc -log minVar_method3 -out backbone_minVar+NN.xtc -method 3 -NN 80 -nt_iter 8 -nt 8 -cycle_num 100 -mwa Thomas On 17 June 2013 23:37, Tsjerk Wassenaar tsje...@gmail.com wrote: Hey Thomas, No, there is no such tool.