Dear Mark, Sorry for late reply of your queries. Frankly speaking I am planning to run a REMD for 50ns with protein urea and water in it, then after 50ns I want to add a protecting osmolyte into the system and want to continue it for another 50ns REMD so that I can have the effect of the protecting osmolyte before and after adding it into the system. My question is, what I have planned is at all possible? How do I continue the simulation of 50ns for another 50ns with a protecting osmolyte in it. Is there any references or commnad lines or protocols to execute this type of simulation which is exclusively dedicated to the effect of a chemicals in the system. Thanks in advance. - Soham
On Tue, 10 Jul 2018, 7:42 pm Soham Sarkar, <soham9...@gmail.com> 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 gmx-users-requ...@gromacs.org.
