ismprotomol - Revision 77: /examples/alanDipeptideVac

• ..
• Bornradii.out
• alan.Bornradii.conf
• alan.Hassan.conf
• alan.Hassan2.conf
• alan.Hassan2.out
• alan.Hassan3.conf
• alan.Hassan4.conf
• alan.compare.conf
• alan.compareD.conf
• alan.compareD1.conf
• alan.compareD2.conf
• alan.compareD3.conf
• alan.compareH.conf
• alan.lang.conf
• alanC5axial.pdb
• alanC7axial.pdb
• alanC7axial_wb5_min_eq.pdb
• alanine.EW.fin.pdb
• alanine.EW.fin.pos.xyz
• alanine.EW.fin.vel.xyz
• alanine.EW.force.xyz
• alanine.EW.force.xyz0
• alanine.EW.force.xyz1
• alanine.EW.forceBorn.xyz
• alanine.EW.forceC.xyz
• alanine.EW.forceC.xyz0
• alanine.EW.forceD.xyz
• alanine.EW.forceD.xyz0
• alanine.EW.forceD1.xyz
• alanine.EW.forceD1.xyz0
• alanine.EW.forceD2.xyz
• alanine.EW.forceD2.xyz0
• alanine.EW.forceD3.xyz
• alanine.EW.forceD3.xyz0
• alanine.EW.forceH1.xyz
• alanine.EW.forceH1.xyz0
• alanine.EW.forceH2.xyz
• alanine.EW.forceH2.xyz0
• alanine.EW.forceH3.xyz
• alanine.EW.forceH3.xyz0
• alanine.EW.forceH4.xyz
• alanine.EW.forceH4.xyz0
• alanine.out.dcd
• alanine.out.energy
• alanine.out.energy.header
• blockdialanine.psf
• blockdialanineHassan05.psf
• compareD3.out
• forces.txt
• par_all27_prot_lipid.inp