[gmx-users] Porphyrine-like molecule

Alexander Borodin avb at isc-ras.ru
Fri Apr 2 14:51:02 CEST 2004

Dear gmx-users,

I'm going to simulate porphyrine like molecules.
Is there any way to keep them (~30 atoms per  molecule) strictly planar
using dummy atoms,
or I should define dihedrals?

Is some force-field for porphyrine or phthalocyanine implemented in Gromacs?

Thanks in advance,

Alexander Borodin
Institute of Solution Chemistry
Russian Academy of Sciences
Akademicheskaya St. 1
153045 Ivanovo
Russian Federation
Tel.: +7-0932-351869
Fax: +7-0932-378509
E-mail: avb at isc-ras.ru

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