Hi All,
I am running a ptraj script using amber tools 12 to keep the closest 10 waters around a residue.
The problem is that no "strip" prmtop file is created after the script is run.
Script:
.........................................................
trajin md_reimaged.mdcrd 18001 20000
trajout closest_waters.mdcrd
strip :Na+
closest 4 :17 H60 oxygen outprefix strip
.........................................................
Command:
Ptraj <original prmtop file> <ptraj script>
Any reason for this, am I forgetting to do something here?
Kind regards,
Andre
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Oct 10 2012 - 19:30:06 PDT
