[gmx-users] RMSD value

2017-10-02 Thread Fitsiou, Eleni
Dear users, I have a question regarding the calculation of RMSD value for a big system comprising of many replicas of the same peptide. I know that with RMSD fit you can choose to “superimpose” your reference structure to the one from the trajectory (rot+trans). My question is when supplying

[gmx-users] rmsd value from g_cluster

2017-02-12 Thread 张慧玲
Hi, I have a .xtc file with 1000 frames and I want to use g_cluster to generate the rmsd value between each two frames in the xtc file. However, I cannot find the exact rmsd values in the .xpm file generated by g_cluster. PS, I use gromacs 4.6.5 Hui -- Gromacs Users mailing list *