[gmx-users] Atomtpe HW not found-2

trevor brown trevorbrown34 at gmail.com
Sun Jan 9 16:41:41 CET 2011

Dear friends,
My run commands are below. It works without any error.
However if I add -water tip3p at the end of pdg2gmx ... line it causes an
error (Atomtpe HW not found) at grompp time.

Could anyone explain the difference?


pdb2gmx -ignh -f XXX.pdb -o fws.gro -p fws.top
editconf -f fws.gro -bt dodecahedron -d 1.0
editconf -f out.gro -o fws_ctr.gro -center 1.7 1.7 1.2
genbox -cp fws_ctr.gro -cs spc216.gro -o fws_b4em.gro -p fws.top
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