[gmx-users] small note on constraints

Pim Schravendijk schraven at mpip-mainz.mpg.de
Tue Aug 3 15:05:34 CEST 2004

When using constraints, the t-init time of the grompp file isn't used in
the time output to pull.pdo.

Example: I started a run after 1 ns, the output time in md.log is 1001.000
etc, but the pull.pdo just starts at 0.00, maybe an idea to use the t_init
also there, so pasting pull.pdo's after eachother will become a bit 
easier. This might also apply to the dgdl output of perturbation (not 
sure, never tried)

Greetings, Pim

Pim Schravendijk - PhD Student
Max Planck Institute for Polymer Research

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