[gmx-users] refining a TI calculation - additional lambda points

Oliwia Maria Szklarczyk oliwias at ethz.ch
Tue Jan 26 15:47:07 CET 2016


Dear All,

I was wondering if you have tips on how to easily create additional lambda points in a thermodynamic integration calculation in gromacs 5. I have 21 lambda points already simulated, from L_0 to L_20, and now I need six more lambda-points between L_16 and L_19. 

Cheers,
oliwia


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