Hi Justin and Hannes,
Thank you for the replay.
I apologize for the insufficient information.
Actually, I calculated them with couple-moltype = solute and init-lambda-state
= 1.
The other parameters except for fep-lambdas, the number of core(8) and hardware
were same.
When I look at REAL
Dear Gromacs Users,
I would appreciate you to give me any comments or hints about the question
below.
What makes the calculation time much longer when I calculate a solvation free
energy using the mdp input1 compared to the mdp input2?
Input1
Free_energy = yes
Couple-lambda0=
