Skip to main content

Table 2 Enhanced sampling parameters used for each TAMD simulation

From: re-TAMD: exploring interactions between H3 peptide and YEATS domain using enhanced sampling

System Name Parameter c Parameter k Parameter h Number of CVs Numbers of atoms
   (Å.kcal/mol) (kcal/mol)   defining each CV
TAMDYpt13 0.02 40 10 3 68
TAMDYpt7 0.02 30 10 2 60
TAMDYpt3 0.7 30 10 1 67