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