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 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.
Yes you're doing something wrong, but if you don't tell us at least your
command line and your full output, how might we be expected to help? :-)
Mark
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