subject:"\[gmx\-users\] INTERPRETING THE ENERGY VALUES AFTER SIMULATIONS IN GROMACS"

Re: [gmx-users] INTERPRETING THE ENERGY VALUES AFTER SIMULATIONS IN GROMACS

2017-04-01 Thread David van der Spoel

On 01/04/17 06:42, Kulkarni R wrote: Hi gromacs users, After protein ligand simulations, I want to do energy analysis. How to interpret the following data properly? What books and papers should we refer? Energy AverageErr.Est. RMSDTot-Drift

[gmx-users] INTERPRETING THE ENERGY VALUES AFTER SIMULATIONS IN GROMACS

2017-03-31 Thread Kulkarni R

Hi gromacs users, After protein ligand simulations, I want to do energy analysis. How to interpret the following data properly? What books and papers should we refer? Energy AverageErr.Est. RMSDTot-Drift