Re: [gmx-users] TRACE OF RMSD COMPARISON MATRIX

Thankyou!! sir. Your answer helped a lot. Richa On 2 July 2013 13:04, Tsjerk Wassenaar tsje...@gmail.com wrote: Hi Richa, From your explanation, I understand you want to know the sum of distances between each frame and its corresponding filtered frame. I think it makes more sense to sum

Re: [gmx-users] TRACE OF RMSD COMPARISON MATRIX

Following link might be helpful: http://orbeckst.github.io/GromacsWrapper/gromacs/core/fileformats/xpm.html -g -- Gaurav Goel Assistant Professor Department of Chemical Engineering Indian Institute of Technology, Delhi Hauz Khas, New Delhi 110016 India On 02-Jul-2013, at 10:45 AM, Richa Singh

Re: [gmx-users] TRACE OF RMSD COMPARISON MATRIX

Hi Richa, From your explanation, I understand you want to know the sum of distances between each frame and its corresponding filtered frame. I think it makes more sense to sum squared distances, but that's a minor detail. The (non-mass-weighted) RMSD between two structures, written as positional

[gmx-users] TRACE OF RMSD COMPARISON MATRIX

Hello users, I'm using g_rms to compare my actual trajectory obtained from simulation with the filtered trajectory (along given set of eigenvectors), this gives me an RMSD comparison matrix in xpm format where the values of the plot are not clear. Is there any way which can help me to get the