GROMACS version: 2023.2
GROMACS modification: No
Hi! I am trying to simulate a liposome with a protein inside with Martini. I have already created the vesicle with TS2CG and minimized it (everything fine). For the protein, I also have it minimized. I joined both .gro files and in vdm the system looks well. But when I was trying to minimize the energy of the entire system, I had problems with the gmx mdrun:
Fatal error:
Function type Restr. Angles does not currently support being perturbed in free energy calculations
I was trying to use the same .mdp file for minimization that I used for the liposome.
I also tried with other .mdp files. I don’t have experience making a custom .mdp file. Could you please help me?
em_1.mdp (1.2 KB)