Bug #2848
gmx make_ndx ignores last residue in case only CA's are present in GRO file
Status:
New
Priority:
Normal
Assignee:
-
Category:
-
Target version:
-
Affected version - extra info:
Affected version:
Difficulty:
uncategorized
Description
When I want to generate an index file of a gro file that only contains the CA atoms of a protein, gmx make_ndx does not list the last residue when using the 'l' command. It does however write the residue out, if you select its residue index number (ri option)
I noticed that gmx make_ndx does recognize the last residue in case I leave the amino acid N in the file.
To summarize:
gmx make_ndx does not list last residue in a CA only file.