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Alexandra Patriksson

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10/31/2006

07:54 AM GROMACS Bug #115 (Closed): double frames after use of eneconv -f file1.edr file2.edr
Sometimes when I have run a simulation as several shorter subsimulations and
want to connect the edr-files from the s...

10/23/2006

07:03 PM GROMACS Bug #112: negative eigenvalues from g_covar
Running version 3.2.1 did only make it even worse I would say... But, running
the 3.3-version of g_covar_d seems to h...

10/20/2006

02:17 PM GROMACS Bug #112 (Closed): negative eigenvalues from g_covar
I am running mass weighted g_covar on a 100ns trajectory of a small protein with
304 atoms. Independent of what parts...

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