[gmx-users] Fatal error: Atomtype F not found

Nur Syafiqah Abdul Ghani pqah123 at gmail.com
Thu Oct 4 04:39:04 CEST 2012

Dear Users,

Right now i already done for creating the a gro file from antechamber
to gromacs format of my molecule which is hexafluoroisopropanol.
But when i want to minimize it in vacuum it show atomtype F not found.
Im using oplsaa force field and i already change the atom type
according to the force field.

Best Regards,

Nur Syafiqah Abdul Ghani,
Theoretical and Computational Chemistry Laboratory,
Department of Chemistry,
Faculty of Science,
Universiti Putra Malaysia,
43400 Serdang,
alternative email : syafiqahabdulghani at gmail.com

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