Figure 1 depicts a scheme of Gaussian accelerated molecular dynamics (GaMD). When the threshold energy is set to its highest potential (E = V max), the system potential energy surface is smoothed by the addition of a harmonic boost potential with a Gaussian distribution. The magnitude of the applied boost potential is determined by the coefficient k 0 in the range of 0â1. In conventional molecular dynamics (cMD), larger k 0 adds more boost potential to the initial energy surface, allowing for better sampling of biomolecules over lower energy barriers. Gaussian accelerated molecular dynamics improves biomolecule conformational sampling by using a harmonic boost potential to smooth the system potential energy surface ( Figure 1 ). Consider a system in which the atoms are at locations =,...,. When the system potential) falls below a certain threshold energy, a boost potential is applied, where is the harmonic force constant. *() =) + Î), the modified system potential, is given by Otherwise, if the system potential is greater than the threshold energy, i.e.,) â, the boost potential is set to zero and*() =).
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." "Hans" is a diminutive of the German male name "Johannes," which is a German variation of the name "John," which means "God is kind." The name "Zoe" is a Greek word that means "life." Isayama came up with Hange's goggles as the initial part of the character's design, incorporating them as a means to identify the character from others. [165] Isayama picked Hange to replace Erwin as Survey Corps commander over Levi because he believed the leader needed to be someone who could assume responsibility for the organization's conduct while its members moved freely. [165]
