[gmx-users] protein simulation

elham tazikeh elham.tazikeh at gmail.com
Fri May 9 12:05:21 CEST 2014


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


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