[gmx-users] configuration does not change in minimization trajectory

heiko252 at web.de heiko252 at web.de
Fri May 1 02:11:30 CEST 2009

Hello all,

I am doing a cg minimization with Gromacs-4.0.3.
It is compiled on a Linux system with gcc 3.4.6

All frames in the trajectory are identical to the starting configuration,
except for the final one, which is clearly different.

I get the expected number of frames in the trajectory (.trr),
and the energy saved in the .edr is decreasing.
But apparently the changes in the structure do not reach the trajectory file.

Any suggestions?


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