Re: [gmx-users] Lamb-Protein

2012-05-03 Thread Justin A. Lemkul
On 5/3/12 10:52 AM, francesco oteri wrote: Dear gromacs users, I am using g_energy to extract energies and I noticed that, amon the different groups, there groups like Lamb-Protein,Lamb-Water_and_ions and other names I dont know. I am wondering whether exist a guide explaining the differet

Re: [gmx-users] Lamb-Protein

2012-05-03 Thread francesco oteri
Hi Justin, I have free-energy = no in my .mdp file, but I still see this value in g_energy. It should be absent or always 1 while the values by g_energy are close to 1 but still fluctuating along the trajectory. So, can you explain me how the value is used by gromacs? Francesco

Re: [gmx-users] Lamb-Protein

2012-05-03 Thread Justin A. Lemkul
On 5/3/12 11:04 AM, francesco oteri wrote: Hi Justin, I have free-energy = no in my .mdp file, but I still see this value in g_energy. It should be absent or always 1 while the values by g_energy are close to 1 but still fluctuating along the trajectory. So, can you explain me how