Re: [gmx-users] g_bar Fatal error: There is no proper lambda legend

2013-01-21 Thread Justin Lemkul
On 1/21/13 7:31 AM, Elena Lilkova wrote: Dear GROMACS developers, I was using gmx-4.6.b3 to run a simple FEP simulation for calculating the solvation free energy of ions in water. The simulations run ok. However, when I tried to use g_bar with the dhdl.xvg files, I received the following error

[gmx-users] g_bar Fatal error: There is no proper lambda legend

2013-01-21 Thread Elena Lilkova
Dear GROMACS developers, I was using gmx-4.6.b3 to run a simple FEP simulation for calculating the solvation free energy of ions in water. The simulations run ok. However, when I tried to use g_bar with the dhdl.xvg files, I received the following error: "There is no proper lambda legend in file '