GBIS parameters

From: Paula Mihaljevic-Juric (paula.mihaljevic-juric_at_polytechnique.edu)
Date: Wed Oct 02 2019 - 09:57:40 CDT

Dear NAMD users,

I would like to understand how does NAMD read radius used for GBIS and is it possible to change a value of a specific atom (like ZN2+ or MG2+)?

For example, in AMBER there is a statement to change a default value, whereas in CHARMM I am able to directly change the GB radius in the parameter file.

I would appreciate someones help.

Thank you
Paula

This archive was generated by hypermail 2.1.6 : Thu Dec 31 2020 - 23:17:12 CST