[gmx-users] specific heat

I have performed an annealing simulation from temp 300 K to 0 K and I do not know how to use g_energy command to give me heat capacity Cv as a function of time or temperature. could anybody help me please? the version of gromacs that I have installed is 4-5-3 -- gmx-users mailing listgmx-users

Re: [gmx-users] specific heat

On 2011-01-30 11.43, leila separdar wrote: is there any command in gromacs that gives me a list of data points for specific heat and suseptibility as a function of temperature or time ? if not, then how can i calculate specific heat or polt Cv as a fuction of T? This is not trivial. You can com

[gmx-users] specific heat

is there any command in gromacs that gives me a list of data points for specific heat and suseptibility as a function of temperature or time ? if not, then how can i calculate specific heat or polt Cv as a fuction of T? -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/ma