Hello Community Members,

I am using Materials Studio 4.3. I want to run a molecular dynamics simulation in the presence of an external electric field, but can't find the way to do it. 

Some posts suggest to modify the discover input file like

efield {{ 0 0 1e7 }}

After minimizing my structure, I get an input file. Is it the same file I need to modify in order to apply the electric filed????

I am posting my input file I tried to modify. Please help me on this issue.

Anant

#BIOSYM btcl 3

#

#  Input File For Discover Generated By Materials Studio

#  Input Client Model Document: C:\\Users\\user\\Documents\\Materials Studio Projects\\Dimer7 Files\\Documents\\3D Atomistic.xsd

#  Job: [EFD2N] - Dimer7 Disco Min

#

  autoEcho off

#

# Begin Forcefield Section

  begin forcefield = compass

#

# Nonbond section:

  forcefield nonbond \\

      -separate_coulomb \\

    vdw \\

    summation_method = atom_based \\

      cutoff = 9.50 \\

      spline_width = 1.00 \\

      buffer_width = 0.50 \\

    coulomb \\

    dielectric_value = 1.0000

# End Forcefield Section

#

# Minimization Section:

  minimize \\

    method = newton \\

    iteration_limit = 5000 \\

         sd \\

            convergence = 1000.0000000 \\

            line_search_precision = 0.5000000 \\

         cg \\

            convergence = 10.0000000 \\

            line_search_precision = 0.5000000 \\

            method = fletcher \\

         newton \\

            convergence = 0.1000000 \\

            line_search_precision = 0.5000000 \\

            max_atoms = 200 \\

            method = bfgs

#

efield {{ 0 0 1e7 }}

# Write coordinate file:

  writeFile coordinate filename = .cor