Have you tried the "insert-chemicals-after-md" command ? PB
> On Jul 11, 2018, at 4:50 AM, Mark Abraham <[email protected]> wrote: > > Hi, > > Are you trying to observe something about the transition, or merely the > different end points? > > Mark > >> On Tue, Jul 10, 2018 at 4:12 PM Soham Sarkar <[email protected]> wrote: >> >> Dear all, >> I am planning to do a simulation where after 50ns of simulation I want to >> add some other chemicals in the system and continue it for another 50ns, so >> that I can have the effect of that chemicals exclusively before and after >> adding it to the system.Is it at all possible? If yes please tell me the >> protocol/ commands or give me some references where this type of simulation >> is used. Thanks in advance. >> -Soham >> -- >> Gromacs Users mailing list >> >> * Please search the archive at >> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before >> posting! >> >> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists >> >> * For (un)subscribe requests visit >> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or >> send a mail to [email protected]. >> > -- > Gromacs Users mailing list > > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > * For (un)subscribe requests visit > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a > mail to [email protected]. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to [email protected].
