Correction to: Journal of Molecular Modeling

https://doi.org/10.1007/s00894-022-05065-3

The original version of this article, unfortunately, contained some mistakes:

  1. 1.

    There are some printing errors on page no. 9 of the article which is available online. The lines on the page appear overlapped with a table.

  2. 2.

    There is another printing error on page no. 3 of the online article. The value appearing as 2000 near reference [41] should be corrected as 2.000.

We request you to please be kind to us in rectifying the problem.

The original article has been corrected.