From d80ac09a515401a55d2b184d45e6cc0e89231e51 Mon Sep 17 00:00:00 2001 From: jimboid Date: Mon, 6 Jun 2016 15:22:26 +0100 Subject: [PATCH] namd plugin update for some missed file parameters --- Longbow/plugins/apps/namd.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/Longbow/plugins/apps/namd.py b/Longbow/plugins/apps/namd.py index ce580c1..2db0334 100644 --- a/Longbow/plugins/apps/namd.py +++ b/Longbow/plugins/apps/namd.py @@ -85,7 +85,7 @@ def file_parser(filename, path, files, substitutions=None): # Define keywords and create a dictionary for variable substitutions keywords = ['coordinates', 'extendedsystem', 'structure', 'parameters', 'paraTypeXplor', 'paraTypeCharmm', 'velocities', - 'binvelocities', 'bincoordinates'] + 'binvelocities', 'bincoordinates', 'ambercoor', 'parmfile'] variables = {} fil = None