Project

General

Profile

Task #3254

Remove support for generation of virtual sites to replace aromatic rings in standard residues

Added by Eric Irrgang 7 months ago. Updated 7 months ago.

Status:
New
Priority:
Normal
Assignee:
-
Category:
core library
Target version:
-
Difficulty:
uncategorized
Close

Description

Deprecated in GROMACS 2019

These are thought to produce artefacts under some circumstances (unpublished results), were never well tested, are not widely used, and we need to simplify pdb2gmx.

History

#1 Updated by Eric Irrgang 7 months ago

  • Private changed from Yes to No

Also available in: Atom PDF