[gmx-users] "trjconv -pbc whole" and SPC water

Berk Hess gmx3 at hotmail.com
Tue Feb 19 16:26:45 CET 2002

Water molecules with only settles and no bonds are not made whole.
Mainly for efficiency reasons. But trajectories from mdrun always
contain whole molecules.
How did you end up with broken waters? trjconv -pbc inbox?


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