[gmx-users] force field

[elham tazikeh]

 Dear Justin
thanks for your quick reply
i,mgoing to simulate zinc ion on Amyloid beta peptide at 300k...and i
choose 1ZE9 as pdb
my choice is correct or i have to pdb of protein without  cation for my
work or can i delete zinc ion  effect in that pdb?
for force field choosing ,i think Opls is appropriate for this
simulation...isn,t it?
best wishes
elham