Dear everyone;
I use the DS2.5 (Windows version) soft to simulate my object. My step is that Solvation----Steepedt Pedcent Minimization----Conjugate Gradient Minimization----Dynamic (Heating or Cooling)----Dynamic (
Equilibration)----Dynamic (Production). Is that true?
I find the dielectric constant should set up from the second step. And I select the Generalized Born and change Implicit Solvent Dielectric Constant to 9.
After I finish to simulate the whole step, the window display the water solvent from start to finish.
I change the dielectric constant, why the water solvet molecular is displayed in the window,instead of CH2Cl2?
Thank you very much!