carving closest solvent

[craldaz]

When I carve the closest solvent for a trajectory the resulting carved trajectory is very strange. Essentially large chunks of solvent fly off.

I think this is because the closest function has a reference with respect to the initial frame. However, even if I save the frames individually and reload them separately, the same result occurs.

How can I carve the closest n solvent for all frames of the trajectory properly?

[hainm]

hi @craldaz, can you please try cpptraj directly to see if the issue still exists? Or can you please post your toy trajectory with similar issue so we can reproduce it?

[craldaz]

Hi @hainm , cpptraj worked! Thanks