[gmx-users] AtomType IW Error

ali.hassanali.1 hassanal at purdue.edu
Thu Nov 25 18:19:13 CET 2004


Dear Gromacs Users,

I am trying to use the amber forcefield in gromacs with tip4p water model.
When I run grompp I get this error saying "Atomtype 'IW' not found. I had
seen some previous postings that suggested changing FF_OLSS to _FF_OLSS
which was already in the correct form in my tip4p.itp file so I am not
sure how to handle this error now.

As is currently stands, how does the Amber forcefield fair interfacing it
with gromacs? Is it still sketchy and not completely full proof?

Thanks

Ali



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