[gmx-users] Turning OFF/ON distance restraints during a simulation
Hi all, Is it possible to turn OFF/ON distance restraints after simulating a system for a certain period of time? If yes, how do I command GMX to do such a job? Thank you James -- Jayasundar Jayant James www.chick.com/reading/tracts/0096/0096_01.asp) -- gmx-users mailing listgmx-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
Re: [gmx-users] Turning OFF/ON distance restraints during a simulation
On 4/29/2011 9:09 AM, jayant james wrote: Hi all, Is it possible to turn OFF/ON distance restraints after simulating a system for a certain period of time? If yes, how do I command GMX to do such a job? You can do this only by stopping the simulation and re-invoking grompp with the changed conditions. Mark -- gmx-users mailing listgmx-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
