[gmx-users] g_covar Segmentation fault

[Anirban Ghosh]

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 group consisting the entire system, for least square fit and covariance analysis, it is giving Segmentation Fault. Am I doing anything wrong. Any suggestion is welcome.

Regards,

 
 
Anirban Ghosh
Grade Based Engineer
Bioinformatics Team
Centre for Development of Advanced Computing (C-DAC)
Pune, India


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