SV: SV: SV: [gmx-users] g_saltbr

Sarah Witzke sawit02 at
Wed Dec 2 10:45:34 CET 2009


Sarah Witzke wrote:

>    Per the documentation, the only options that can be passed to g_saltbr are -s
>    and -f, so no, you cannot use any index groups.
> I thought so :-(

   Indeed, Mark's clever suggestion may be useful here.
Yes, definitely.

> There are no old xvg files in the directory. I have used "rm -rf *xvg*" to clean up and checked with "ls -alt". Just now I also ran the command in a folder that I have not analyzed before - with the same huge amount og #-files. Also note the dates of the files are within minutes, eg.:
> -rw-r--r-- 1 sawit02 users 699 2009-12-02 00:56 sb-DMPC191:DMPC192.xvg
> -rw-r--r-- 1 sawit02 users 699 2009-12-02 00:56 #sb-DMPC191:DMPC192.xvg.1#
> -rw-r--r-- 1 sawit02 users 699 2009-12-02 00:56 #sb-DMPC191:DMPC192.xvg.2#
> -rw-r--r-- 1 sawit02 users 699 2009-12-02 00:56 #sb-DMPC191:DMPC192.xvg.3#

   You said before these files were different.  How so?  What is in each?  It
   appears that these are all of identical size, so I'm curious to know what's
   going on.

In each of the files are a set of distances as a function of time - it does not seem that strange, that the size is equal then. 

When I plot for instance the four .xvg files mentioned above I get four different curves. Also "diff" lists that every line is different.

I really don't understand what I'am doing wrong. 

Thank you,



Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at] | (540) 231-9080

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