AMBER Archive (2001)

Subject: CARNAL

From: Omer Katzenelson (katz_at_SDSC.EDU)
Date: Tue Aug 21 2001 - 20:27:54 CDT

Dear AMBER users,

I am trying to calculate RMSD of several structures and I get the
following error:

-------------------------------------------------------
                          - CARNAL -
                          AMBER 6.0

                      COORDINATE ANALYSIS

input analin
Reading parm file (../../f.top)
parm: opening ../../f.top
../../f.top title:

> FILES_IN
> STREAM s1
> f.500sd10kcgest.rest.0000
Using default parm (../../f.top) for STREAM s1
> f.500sd10kcgest.rest.0001
> f.500sd10kcgest.rest.0002;
stream: opening f.500sd10kcgest.rest.0001
stream: opening f.500sd10kcgest.rest.0002
stream: opening f.500sd10kcgest.rest.0000
> FILES_OUT
> TABLE tab1 rms_to_start;
> DECLARE
> GROUP gALL (RES 1 - 32);
** Group gALL: 527 atoms
> RMS r1 gALL s1;
RMS: comparing to initial set of stream
> OUTPUT
> TABLE tab1 r1;
Error: unexpected EOF in analin (3 char in line)
--------------------------------------------------------
Here is my input:

FILES_IN
  STREAM s1
         f.500sd10kcgest.rest.0000
        f.500sd10kcgest.rest.0001
        f.500sd10kcgest.rest.0002;
FILES_OUT
  TABLE tab1 rms_to_start;
DECLARE
  GROUP gALL (RES 1 - 32);
  RMS r1 gALL s1;
OUTPUT
  TABLE tab1 r1;
END
---------------------------------------------------------
Thank you in advance,

--omer

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Omer Katzenelson, Ph.D. katz_at_sdsc.edu
San Diego Supercomputer Center TEL: (858) 822-3690
9500 Gilman Dr., MC0527 FAX: (858) 822-3631
La Jolla CA 92093
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