Thank you. Should I also copy and paste coordinates of my ions or just my protein?
Steven On Tue, Jan 10, 2012 at 11:03 AM, Mark Abraham <mark.abra...@anu.edu.au>wrote: > On 10/01/2012 9:54 PM, Steven Neumann wrote: > >> Dear Gmx Users, >> I am setting up my simulations of carbon tube with protein. I solvated my >> system, added ions and I would like to run EM of my system. My carbons of >> the tube in MD will be restrained. In this case should I run EM of my >> protein in water (and with ions) separately and the copy coordinates and >> then process with NVT and NPT or run EM with restrained nanotubes of my >> system directly? >> > > The former is less likely to have problems. > > Mark > -- > gmx-users mailing list gmx-users@gromacs.org > http://lists.gromacs.org/**mailman/listinfo/gmx-users<http://lists.gromacs.org/mailman/listinfo/gmx-users> > Please search the archive at http://www.gromacs.org/** > Support/Mailing_Lists/Search<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 gmx-users-requ...@gromacs.org. > Can't post? Read > http://www.gromacs.org/**Support/Mailing_Lists<http://www.gromacs.org/Support/Mailing_Lists> >
-- gmx-users mailing list gmx-users@gromacs.org 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 gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
