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Gromacs Topology Files for common Ionic Liquids
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BCN4.pdb
BCN4_AtTy_OPLSAA.itp
BCN4_OPLSAA.itp
BF4.pdb
BF4_AtTy_OPLSAA.itp
BF4_OPLSAA.itp
BMIm.pdb
BMIm_AtTy_OPLSAA.itp
BMIm_OPLSAA.itp
BMPyr.pdb
BMPyr_AtTy_OPLSAA.itp
BMPyr_OPLSAA.itp
BPy.pdb
BPy_AtTy_OPLSAA.itp
BPy_OPLSAA.itp
Cl.pdb
Cl_AtTy_OPLSAA.itp
Cl_OPLSAA.itp
DCA.pdb
DCA_AtTy_OPLSAA.itp
DCA_OPLSAA.itp
EMIm.pdb
EMIm_AtTy_OPLSAA.itp
EMIm_OPLSAA.itp
FEP.pdb
FEP_AtTy_OPLSAA.itp
FEP_OPLSAA.itp
FSI.pdb
FSI_AtTy_OPLSAA.itp
FSI_OPLSAA.itp
N2214.pdb
N2214_AtTy_OPLSAA.itp
N2214_OPLSAA.itp
PF6.pdb
PF6_AtTy_OPLSAA.itp
PF6_OPLSAA.itp
README.md
SCN.pdb
SCN_AtTy_OPLSAA.itp
SCN_OPLSAA.itp
TFSI.pdb
TFSI_AtTy_OPLSAA.itp
TFSI_OPLSAA.itp

README.md

RTIL-FF

Gromacs Topology Files for common Ionic Liquids containing: [EMIm]+, [BMIm]+, [BPy]+, [BMPyr]+, [N2214]+, [BF4], [PF6], Cl, [FSI], [TFSI], [SCN], [N(CN)2] ([DCA]), [B(CN)4], [FEP] ions.

Use with caution. Check the FF before use and, in case of any errors, please report them.

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