On 2012-03-02 05:25:01PM +0000, Steven Neumann wrote: > Dear Gmx Users, > > I run nvt simulation with small timestep with implicit solvent for 500 ps. > I used particle decomposition for this run (-pd). No I want to extend my > simulation with different mdp file from the previous nvt using: > > > grompp -f new.mdp -c old.tpr -o new.tpr -t old.cpt > > mdrun -s new.tpr (-pd?) > > > > This is my question - shall use -pd option again or will it be considered > automatically?
The manual entry for mdrun tells you what commandline switches are considered enabled by default. I don't think -pd is one of them so you will have to specify it every time (it's safer to specify it anyway). -- ================================================================== Peter C. Lai | University of Alabama-Birmingham Programmer/Analyst | KAUL 752A Genetics, Div. of Research | 705 South 20th Street [email protected] | Birmingham AL 35294-4461 (205) 690-0808 | ================================================================== -- 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
