Hi GMX Users I 'm running MD Simulation for DNA-ligand interaction. I ran energy minimization with emtol=10, 100 and 250 in 10000 steps (steepest descent followed by the conjugate gradient algorithm). The lowest value for energy obtained for emtol=10. I have some questions about energy minimization step. what is suitable value for emtol in em.mdp file? how many steps is needed for energy minimization? and how do I understand the minimization is successful?
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