[gmx-users] Topology files for OPLSAA and RESP charges
Tanos C. C. Franca
tanos at ime.eb.br
Sun May 23 17:01:13 CEST 2010
Dear GROMACS users,
I'm trying to start running jobs using RESP charges and OPLSAA force
field but I am facing problems to generate the RESP charges and the
topology files for the OPLSAA force field. Does someone knows a software
to calculate the RESP charges for the ligands and/or, also, to generate
the .itp files for OPLSAA ?
With the best regards,
Tanos C. C. Franca.
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