Re: [gmx-users] Convergence of systems.

What is important is whether that the property of interest to you has stabilised into a particular state/value. What time frame that is depends on the property of interest, temperature will stabilise relatively quickly, within 1ns, volume can be longer, particularly if there is some organisation re

Re: [gmx-users] Convergence of systems.

there are various properties you can check such as potential energy, RMSD, Temperature ... On Thu, Jul 12, 2018 at 2:19 PM SHYANTANI MAITI wrote: > Dear all, > How to determine whether the system converges or not in molecular dynamics > simulation? > > -- > Best regards, > *Shyantani Maiti* > -

[gmx-users] Convergence of systems.

Dear all, How to determine whether the system converges or not in molecular dynamics simulation? -- Best regards, *Shyantani Maiti* -- 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