my_educational_projects:这是我的教育项目
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2021-03-30
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my_educational_projects-main 
README.md 59B Computational Chemistry vibrational spectrum CO2 optg_CO2.inp 313B fundam_CO2.out 7.92MB vscf_CO2.inp 2KB fundam_CO2.inp 2KB oberton_CO2.inp 2KB optg_CO2.out 132KB oberton_CO2.out 7.92MB vscf_CO2.out 7.92MB optg_CO2.dat 118KB bash_script ACD.frg 902B WTR.frg 332B myscript-2.sh 2KB PHS.frg 508B rtp.nw 70B a2.nw 4KB nwrun.sh 90B nwropt.sh 660B a2-st.pdb 33KB transitional state search AcOH AcOH_TS.inp 10KB AcOH_TS.out 502KB AcOH_optg.out 319KB AcOH_optg.inp 709B qmmm Amide_product.nw.output 7.61MB Amide-F.pdb 33KB Imide.nw.output 5.19MB Amide.nw.output 6.4MB cp2k_qm.tcl 2KB Imide-F.pdb 33KB Amide_product-F.pdb 33KB a2-st.pdb 33KB 1wq1 structure assembly components prot.pdb 622KB gtp.pdb 5KB ions.pdb 9KB water.pdb 4.7MB mg.pdb 264B A-build.pgn 630B topology_params toppar_all36_na_nad_ppi.str 195KB Gua_triphosph.str 4KB
top_all36_prot.rtf 72KB top_all36_carb.rtf 286KB top_all36_na.rtf 37KB top_all36_lipid.rtf 621KB top_all36_cgenff.rtf 1.42MB toppar_water_ions.str 9KB vmdtext.bat 75B scripts for protein processing npt-10.cnf 4KB smdconvel-out-k10.conf 4KB A-build.pgn 646B solvate.tcl 298B min.cnf 3KB center-mass.pgn 214B ionize.tcl 260B KIE_calculation_example ES-TF TFq1vib_yO4.nw.output 13.19MB ESq1vib.nw.output 13.06MB TFq1vib.nw.output 13.19MB ESq1vib_yO4.nw.output 13.06MB ESq1vib_bridge.nw.output 13.06MB ESq1vib_bO3.nw.output 13.06MB TFq1vib_bO3.nw.output 13.19MB TFq1vib_bridge.nw.output 13.19MB资源评论
楼小雨
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