[gmx-users] Imitation of the protein part

[Steven Neumann]

Hi Gmx Users,

I am simulationg parts of the big protein so in this case imitating non
charged terminals. For this purpose I use option:
pdb2gmx -f Protein.pdb -ter

Which option would be suitable and safe to imitate it:
a) NH2 and COOH
b) None

Thank you!

Steven
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