tplgeneX_pack_220323, Hgene_pack_220323 released

tplgeneX:

The force field parameters for DNA / RNA and artificial nucleic acids (OL3, OL15, etc. in addition to ff99 and ff99bsc0) have been expanded.

Collectively process the force fields of protein-nucleic acid complex and RNA-DNA complex with the optimum force field combination for each molecular species.The force fields of protein-nucleic acid complex and RNA-DNA complex are collectively processed with the optimum force field combination for each molecular species.

Hgene:

For SDF and mol2 files in which a large number of molecules are described, if there is a molecule that cannot be calculated in the middle of the calculation with MOPAC (AM1BCC charge calculation, etc.), the molecule that cannot be calculated is skipped and all the molecules are continued. I made it possible to calculate.