Thank you Justin, indeed it's pbc = xyz in my md.log file.
Carla On Fri, Feb 25, 2011 at 3:20 PM, Justin A. Lemkul <[email protected]> wrote: > > > Carla Jamous wrote: > >> Hi everyone, >> >> In my .mdp MD file, I didn't put "pbc =xyz". Then, I used tpbconv and >> mdrun to continue my simulation. >> >> My question is: did I run my simulation using periodic boundary conditions >> because I have the impression that I did but I'm not sure if not using the >> mention "pbc" in my mdp file means that I didn't use PBC? >> > > pbc=xyz is the default if not specified. Check your mdout.mdp and md.log > files to be sure. > > -Justin > > >> Thanks >> >> Carla >> >> > -- > ======================================== > > Justin A. Lemkul > Ph.D. Candidate > ICTAS Doctoral Scholar > MILES-IGERT Trainee > Department of Biochemistry > Virginia Tech > Blacksburg, VA > jalemkul[at]vt.edu | (540) 231-9080 > http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin > > ======================================== > -- > 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 >
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