[gmx-users] npt equilibrium
shima_arasteh2001 at yahoo.com
Mon Jan 7 07:43:02 CET 2013
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.
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