Mercurial > repos > chemteam > ambertools_antechamber

directory /test-data/ @ 2:59a0424937cc draft

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file JZ4.mol2 2354 -rw-r--r--
file LigA.mol2 2145 -rw-r--r--
file LigA.pdb 1971 -rw-r--r--
file LigA_output.mol2 2720 -rw-r--r--
file LigA_output.pdb 1896 -rw-r--r--
file LigA_output.txt 571 -rw-r--r--
file LigA_prmchk.mol2 2720 -rw-r--r--
file base_GMX.gro 1118 -rw-r--r--
file base_GMX.itp 14186 -rw-r--r--