| 5:30:34 AM PDT - Tue, May 30th 2017 |
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| My guess is that your problem stems from the code removing center-of-mass translations and rotations. Unfortunately, at this time there is nothing you can add to your input file to change this behavior as the code is set up to always remove COM translations and rotations before starting. However, it is very easy to modify the source code to bypass this step. In $NWCHEM_TOP/src/qmd/qmd_driver.F, simply comment out any calls to the subroutine qmd_fix_momentum and recompile. This will stop the code from removing COM translations and rotations.
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