Hello, I have ran an NPT simulation followed by NPT Production MD for different concentrations, and after that, if i check the final .gro files of npt.gro and nptmd.gro (the production md .gro file), the box length of nptmd.gro is still fluctuating, for some concentrations the nptmd.gro box length is larger than npt.gro (which i am feeling as not correct) and in some concentrations the nptmd.gro box length is shorter than npt.gro. Still, the box length is fluctuating... 1] How can the box length increase after NPT simulation..?? 2] So, how can i fix the box length, here....?? Do i need to run for some more no of steps or time..?? [ i ran the NPT simulation for 2 ns and NPT Production MD for 10 ns]
Any suggestions are appreciated.... -- With Best Regards, DILIP.H.N Ph.D Student <https://mailtrack.io/> Sent with Mailtrack <https://mailtrack.io/install?source=signature&lang=en&referral=cy16f01.di...@nitk.edu.in&idSignature=22> -- 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.