A series of Python3 script to lower the barrier of computing and simulating molecular and material systems.

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CMMDE/examples/larutan/UreaAirAmonia/amoniak

History

Aditya Wibawa Sakti 175a7c6f52 First launching		2 years ago
..
AMK.inpcrd	First launching	2 years ago
AMK.lib	First launching	2 years ago
AMK.parmtop	First launching	2 years ago
AMK_gaff.pdb	First launching	2 years ago
ANTECHAMBER_AC.AC	First launching	2 years ago
ANTECHAMBER_AC.AC0	First launching	2 years ago
ANTECHAMBER_AM1BCC.AC	First launching	2 years ago
ANTECHAMBER_AM1BCC_PRE.AC	First launching	2 years ago
ANTECHAMBER_BOND_TYPE.AC	First launching	2 years ago
ANTECHAMBER_BOND_TYPE.AC0	First launching	2 years ago
ANTECHAMBER_GAS.AC	First launching	2 years ago
ANTECHAMBER_GAS_AT.AC	First launching	2 years ago
ATOMTYPE.INF	First launching	2 years ago
H-H.skf	First launching	2 years ago
H-N.skf	First launching	2 years ago
N-H.skf	First launching	2 years ago
N-N.skf	First launching	2 years ago
amoniak.frcmod	First launching	2 years ago
amoniak.mol2	First launching	2 years ago
amoniak.pdb	First launching	2 years ago
amoniak_mod.mol2	First launching	2 years ago
chrgfile	First launching	2 years ago
cmmd.in	First launching	2 years ago
cmmd.out	First launching	2 years ago
cmmd.xyz	First launching	2 years ago
dftb.dat	First launching	2 years ago
dftb.inp	First launching	2 years ago
leap.log	First launching	2 years ago
run.sh	First launching	2 years ago
slurm-2640.out	First launching	2 years ago
slurm-2641.out	First launching	2 years ago
sqm.in	First launching	2 years ago
sqm.out	First launching	2 years ago
sqm.pdb	First launching	2 years ago
tleap.in	First launching	2 years ago