Hi, thanks for the tutorial, which I'm currently exploring.
In the level 3, solvation energy tutorial, both equilibration and production simulations are running fine for the 21 lambda states, however no .xvg file are outputted in the lambdastateX folders. Is there a missing argument or command line in the local-run.sh script?
Thanks
Hi, thanks for the tutorial, which I'm currently exploring.
In the level 3, solvation energy tutorial, both equilibration and production simulations are running fine for the 21 lambda states, however no .xvg file are outputted in the lambdastateX folders. Is there a missing argument or command line in the local-run.sh script?
Thanks