!-----------{∗xprep.inp∗}-------------------------------------------------------

remarks file generate/generate.inp

remarks Generate structure file and hydrogens for a protein

topology @topallh22xedit.pro

@topallhdgspin.spn

end      {∗Read topology file.∗}

parameter

@parallh22x.pro {∗Read empirical potential∗}

@parallhdg.spn {∗with modifications. ∗}

nbonds {∗This statement specifies the ∗}

atom cdie shift eps=1.0 e14fac=0.4 {∗nonbonded interaction energy ∗}

cutnb=7.5 ctonnb=6.0 ctofnb=6.5 {∗options. Note the reduced ∗}

nbxmod=5 vswitch {∗nonbonding cutoff to save some∗}

end {∗CPU time. This statement ∗}

{∗overwrites the defaults in ∗}

{∗the parameter file. ∗}

end

structure @Vps75tet.psf end

coor @Vps75tet.pdb

!--------------------------------------------------------------------------------------------