AMBER Archive (2003)

Subject: RE: AMBER: AMBER Carnal files

From: Yong Duan (yduan_at_udel.edu)
Date: Sat Sep 20 2003 - 17:44:44 CDT

Position? I thought you should have 3 columns for X-y-z coordinates of
an atom plus a label. You can use an awk script to pick up the columns
you want.

yong

> -----Original Message-----
> From: owner-amber_at_scripps.edu
> [mailto:owner-amber_at_scripps.edu] On Behalf Of
> Frederico.Miranda_at_ibmb.uib.no
> Sent: Saturday, September 20, 2003 6:24 PM
> To: amber_at_scripps.edu
> Subject: AMBER: AMBER Carnal files
>
>
> Hye, I'm trying to plot the position of a specific atom
> during a simulation vs
> time. To obtain the position of the atom during the
> simulation, I've tried to
> use carnal, but I obtain a file with values that I can't
> manage to plot. I
> should have only two rows in the files (time and
> coordinates), but it doesn't
> seem to be the case. Could someone help me with this please.
> Thank You.
>
> Frederico Miranda
>
>
>
>
>
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