NAMD support for lone pairs

From: Tabitha Nobel (hydrargyrumate_at_gmail.com)
Date: Thu Mar 07 2019 - 20:26:05 CST

Dear NAMD developers,

Are CGenFF lone pairs supported in NAMD version 2.13? This question is
similar to the one asked here
<https://www.ks.uiuc.edu/Research/namd/mailing_list/namd-l.2018-2019/0992.html>,
but I saw in the release notes
<https://www.ks.uiuc.edu/Research/namd/2.13/features.html> that there was
improved lone pair support, and it wasn't clear to me whether that was only
for the Drude force field.

Thank you,
Tabitha

This archive was generated by hypermail 2.1.6 : Thu Dec 31 2020 - 23:17:10 CST