[gmx-users] surface tension, Long range LJ correction, TIP4P/2005

Hi All, I really need to know how to apply long range LJ correction to calculate surface tension of TIP4P/2005 water. I can get 65 dyn even i use vdw cut-off = 1.4 nm, but from the reference people can get 69 dyn. I included the LJ Long range LJ correction using the following .mdp, please note

Re: [gmx-users] surface tension, Long range LJ correction, TIP4P/2005

On 1/06/2012 12:18 AM, MD wrote: Hi All, I really need to know how to apply long range LJ correction to calculate surface tension of TIP4P/2005 water. I can get 65 dyn even i use vdw cut-off = 1.4 nm, but from the reference people can get 69 dyn. I included the LJ Long range LJ correction