GitHub - lizhen62017/ZIP8: MD input files for ZIP8 OFC free energy calculation while mutating from Zn to Cd.

lizhen62017 / ZIP8 Public

MD input files for ZIP8 OFC free energy calculation while mutating from Zn to Cd.

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Name		Name	Last commit message	Last commit date
Latest commit History 1 Commit
1_chg_fwd.in		1_chg_fwd.in
2_chg_fwd.in		2_chg_fwd.in
3_chg_fwd.in		3_chg_fwd.in
4_chg_fwd.in		4_chg_fwd.in
5_chg_fwd.in		5_chg_fwd.in
6_chg_fwd.in		6_chg_fwd.in
7_chg_fwd.in		7_chg_fwd.in
gpu.pbs		gpu.pbs
step5_input.parm7.zip		step5_input.parm7.zip
step5_input.pdb		step5_input.pdb
step5_input.rst7		step5_input.rst7
ti2_min1.in		ti2_min1.in
ti2_min2.in		ti2_min2.in
ti2_min3.in		ti2_min3.in
ti2_min4.in		ti2_min4.in
ti2_min5.in		ti2_min5.in
ti2_npt.in		ti2_npt.in
ti2_nvt.in		ti2_nvt.in