Loading doc/Section_howto.html +3 −3 Original line number Original line Diff line number Diff line Loading @@ -503,9 +503,9 @@ LJ epsilon, sigma of OH, HH = 0.0 <BR> <P>r0 of OH bond = 1.0<BR> <P>r0 of OH bond = 1.0<BR> theta of HOH angle = 109.47 <BR> theta of HOH angle = 109.47 <BR> </P> </P> <P>To use TIP3P with a long-range Coulombic <P>To use SPC with a long-range Coulombic solver (Ewald or PPPM in solver (Ewald or PPPM in LAMMPS), the only parameters that LAMMPS), the only parameters that change are the partial charge change are the partial charge assignments: assignments: </P> </P> <P>O charge = -0.8476<BR> <P>O charge = -0.8476<BR> H charge = 0.4238 <BR> H charge = 0.4238 <BR> Loading doc/Section_howto.txt +3 −3 Original line number Original line Diff line number Diff line Loading @@ -499,9 +499,9 @@ LJ epsilon, sigma of OH, HH = 0.0 :all(b),p r0 of OH bond = 1.0 r0 of OH bond = 1.0 theta of HOH angle = 109.47 :all(b),p theta of HOH angle = 109.47 :all(b),p To use TIP3P with a long-range Coulombic To use SPC with a long-range Coulombic solver (Ewald or PPPM in solver (Ewald or PPPM in LAMMPS), the only parameters that LAMMPS), the only parameters that change are the partial charge change are the partial charge assignments: assignments: O charge = -0.8476 O charge = -0.8476 H charge = 0.4238 :all(b),p H charge = 0.4238 :all(b),p Loading Loading
doc/Section_howto.html +3 −3 Original line number Original line Diff line number Diff line Loading @@ -503,9 +503,9 @@ LJ epsilon, sigma of OH, HH = 0.0 <BR> <P>r0 of OH bond = 1.0<BR> <P>r0 of OH bond = 1.0<BR> theta of HOH angle = 109.47 <BR> theta of HOH angle = 109.47 <BR> </P> </P> <P>To use TIP3P with a long-range Coulombic <P>To use SPC with a long-range Coulombic solver (Ewald or PPPM in solver (Ewald or PPPM in LAMMPS), the only parameters that LAMMPS), the only parameters that change are the partial charge change are the partial charge assignments: assignments: </P> </P> <P>O charge = -0.8476<BR> <P>O charge = -0.8476<BR> H charge = 0.4238 <BR> H charge = 0.4238 <BR> Loading
doc/Section_howto.txt +3 −3 Original line number Original line Diff line number Diff line Loading @@ -499,9 +499,9 @@ LJ epsilon, sigma of OH, HH = 0.0 :all(b),p r0 of OH bond = 1.0 r0 of OH bond = 1.0 theta of HOH angle = 109.47 :all(b),p theta of HOH angle = 109.47 :all(b),p To use TIP3P with a long-range Coulombic To use SPC with a long-range Coulombic solver (Ewald or PPPM in solver (Ewald or PPPM in LAMMPS), the only parameters that LAMMPS), the only parameters that change are the partial charge change are the partial charge assignments: assignments: O charge = -0.8476 O charge = -0.8476 H charge = 0.4238 :all(b),p H charge = 0.4238 :all(b),p Loading
