[gmx-users] occupancy

Carla Jamous carlajamous at gmail.com
Tue Jan 19 16:56:59 CET 2010

I'm encountering a problem with pdb2gmx & occupancy. I searched the mailing
list & followed this advice: "do NOT throw away crystallographic water
molecules before you run genbox". I kept my pdb's water mlolecules & ran

But still I get this warning:
" there were 0 atoms with zero occupancy and 1 atoms with occupancy unequal
to one (out of 2658 atoms). Check your pdb file."

What can I do to stop having this warning?


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