[lammps-users] Fix shake for linear molecules

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21

Hi Steve,

attached are the updated fix_rigid_nve.cpp and fix_rigid_nvt.cpp.

Thanks,
-Trung

Quoting Steve Plimpton <[email protected]>:

fix_rigid_nve.cpp (8.07 KB)

fix_rigid_nvt.cpp (17 KB)

22

Posted a 20Jul10 patch for this.

Thanks,
Steve