Re: [Apbs-users] APBS apolar calculation

[Matteo R. <mat...@un...>]

Dear all,
I checked agin my files and i noticed that I pasted the wrong input file.
Here is the correct one:

read
          mol pdb in.pdb
          parm flat param.prm
  end

  APOLAR name solvated
          grid 0.3 0.3 0.3
          mol 1
          srfm sacc
          swin 0.3
          press  0.005420
          gamma  0.000003
          srad   1.4
          bconc  0.032327
          sdens 100.0
          dpos 0.2
          temp 298.15
          calcenergy total
          calcforce comps
  END
  print apolEnergy solvated end
  print apolForce solvated end
  quit

Regards, Matteo.

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