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

Elena Lilkova elilkova at phys.uni-sofia.bg
Mon Jan 21 13:31:06 CET 2013

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 'lambda_0.0/md.xvg', can not
deduce lambda".
File md.xvg is attached.
Thank you!

Elena Lilkova

More information about the gromacs.org_gmx-users mailing list