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 -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to [email protected]. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
