Hi. I need your help dealing with parametrization of mdp file. Look, I want to understand how can we change such params like rlist, rvdw, cut-off, rcoulomb. As I know each forcefield has its own properties and calculated values of this params. But I've found that in different articles this values were the same, though the forcefields were not... Also I've read that each meaning of this params I can change depeding on my task... Changing rlist we will get more accurate results, as there are more atoms around the one, which motion is calculated, will be considered. And what about other params? What for, as example, we can cut-off an influence of coulumb forces with reducing the distance of them? In what situation I can change them and how it will affect the result? <br>
And also were can I find some defined parameters of mdp for charmm27 or amber99, I mean not from articles, but any supplements which come with forcefield files...<br>THANK YOU VERY MUCH<br clear="all"><br>-- <br><div style="text-align:left;font-family:arial,helvetica,sans-serif">
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