[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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