Re: [gmx-users] liquid vapour

2009-01-29 Thread David van der Spoel
avinash kumar wrote: Hello all, I am working on liquid vapour interfaces. How do I determine which atom is in vapour state and which one in liquid. What thermodynamics property will tell me that? Thank you. You can try using g_clustsize. From the pure liquid you can compute enthalpy of vap

[gmx-users] liquid vapour

2009-01-29 Thread avinash kumar
Hello all, I am working on liquid vapour interfaces. How do I determine which atom is in vapour state and which one in liquid. What thermodynamics property will tell me that? Thank you. -- Avinash Kumar. ___ gmx-users mailing listgmx-users@gromacs