Re: MOE program and difference between MD and SA?

From: Jim Phillips (
Date: Fri Nov 14 2003 - 15:20:00 CST

On Fri, 14 Nov 2003, wrote:

> (2) I find a problem about Namdplot script on the NAMD utilities. I can't see any
> figure with this namdplot script. When I modify the line 150:
> grep '^ENERGY:' $argv | grep -v '[a-z]' | awk "$prog" > $tmpfile
> to:
> grep '^ENERGY:' $argv | awk "$prog" > $tmpfile
> it can work.
> Is my modification right?

The "grep -v '[a-z]'" filters out any ENERGY lines with lower-case text on
them. NAMD doesn't generate these lines in normal operation, and namdplot
wouldn't know how to parse them. You'd need to look at your file to see
what lines this grep is filtering out, or if something else is wrong.


This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:37:08 CST