Re: [gmx-users] Liquid/Gas Systems

2011-06-02 Thread Jussi Lehtola
On Thu, 02 Jun 2011 17:20:35 -0400 "Justin A. Lemkul" wrote: > Fabian Casteblanco wrote: > > Hi Justin, > > > > You had helped me earlier on calculating the heat of vaporization of > > methanol and it worked great. I'm just trying hard to understand > > conceptually what is the difference betwee

Re: [gmx-users] Liquid/Gas Systems

2011-06-02 Thread Justin A. Lemkul
Fabian Casteblanco wrote: Hi Justin, You had helped me earlier on calculating the heat of vaporization of methanol and it worked great. I'm just trying hard to understand conceptually what is the difference between simulating a liquid phase and a gas phase in Gromacs. I mean technically if w

[gmx-users] Liquid/Gas Systems

2011-06-02 Thread Fabian Casteblanco
Hi Justin, You had helped me earlier on calculating the heat of vaporization of methanol and it worked great. I'm just trying hard to understand conceptually what is the difference between simulating a liquid phase and a gas phase in Gromacs. I mean technically if we throw in 1000 molecules of c