Re: [gmx-users] lifetime of hydrogen bond of bulk water too large

2014-05-21 Thread Calixte, Emvia I
I mean't to type that the expected value should be around 0.27ps but I am getting 2 to 3 ps from my simulations. The autocorrelation function decays to 0. Is there something I am missing? Any insight would be appreciated. Thanks. Emvia -- Gromacs Users mailing list * Please search the archive

[gmx-users] lifetime of hydrogen bond of bulk water too large

2014-05-19 Thread Calixte, Emvia I
Hello all, I am finding the lifetime of hydrogen bonds between water molecules for various systems. To compare my values to bulk I have determined bond lifetimes of a 4x4x4 nm3 box of spc/e water. The expected lifetime should be around 0.27 seconds, however i am obtaining values around 2.1 to