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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