Dear Peter,
Would you please let me know how much time approximately the system of
protein/popc took to be npt-equilibrated sufficiently, in accordance with the
simulation you have reported in "Beyond modeling .... " paper.
In fact, I put the protein in popc and then ran NPT-equilibrium on it for 2 ns.
When I go through the next step to run MD-run, I get error which indicates not
sufficient equilibrated system.
Thanks in advance.
Sincerely,
Shima
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