Re: [gmx-users] g_covar : segmentation fault

Poojari, Chetan wrote: Hi, I am doing Dihedral PCA and followed the steps as mentioned in the Gromacs documentation http://www.gromacs.org/Documentation/How-tos/Dihedral_PCA Below are the commands i used: 1) I generated index file for chosen dihedral angles. 2) g_angle -f 100ns_noPBC.xtc

[gmx-users] g_covar : segmentation fault

Hi, I am doing Dihedral PCA and followed the steps as mentioned in the Gromacs documentation http://www.gromacs.org/Documentation/How-tos/Dihedral_PCA Below are the commands i used: 1) I generated index file for chosen dihedral angles. 2) g_angle -f 100ns_noPBC.xtc -n dangle.ndx -or dangle.tr

Re: [gmx-users] g_covar Segmentation fault

Anirban Ghosh a écrit : Hi ALL, I have a system of beads with which I ran a CGMD (coarse grained MD) using NAMD. Now I want to do a PCA analysis of this system using GROMACS. So I converted the trajectory in .trr format Convert a dcd file into a trr file is not that straightforward. How did y

Re: [gmx-users] g_covar Segmentation fault

Anirban Ghosh wrote: Hi ALL, I have a system of beads with which I ran a CGMD (coarse grained MD) using NAMD. Now I want to do a PCA analysis of this system using GROMACS. So I converted the trajectory in .trr format and made an index file of the entire system (45 beads). But now when I try t

[gmx-users] g_covar Segmentation fault

Hi ALL, I have a system of beads with which I ran a CGMD (coarse grained MD) using NAMD. Now I want to do a PCA analysis of this system using GROMACS. So I converted the trajectory in .trr format and made an index file of the entire system (45 beads). But now when I try to run g_covar using the