[gmx-users] npt equilibrium

Shima Arasteh shima_arasteh2001 at yahoo.com
Mon Jan 7 07:43:56 CET 2013

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. 


More information about the gromacs.org_gmx-users mailing list