[gmx-users] Are you know the way for converting dl_poly input files to Gromacs inputs
Mohammad Hossein Kowsari
mhkowsari2010 at gmail.com
Tue Feb 23 06:09:09 CET 2010
Dear Gromacs users,
I simulated several imidazolium-based ionic liquids by DL_POLY code which
has three input files: CONFIG, CONTROL, and FIELD.
the force field parameter (FIELD) used from the Canongia Lopes force fields,
e.g., (OPLS_AA / AMBER based):(JPC B, 2004, Vol. 108, 2038).
now, I like continuous my work on these ionic systems by GROMACS. have you
proper/simple way for converting DL_POLY input files to GROMACS inputs,
especially for inserting of Lopes force field parameters to the
topology/*.itp file of GROMACS.
thanks for your help in advance
Isfahan University of Technology
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