Shima Arasteh <[email protected]> wrote: >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
I have never equilibrated for shorter than 10ns in a system of that size... -- Sent from my Android phone with K-9 Mail. Please excuse my brevity. -- 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
