Dear ALL,
I am trying to calculate the radius of gyration by Carnal (AMBER8).
I want to measure it through my md trajactory mdcrd file.
Here is my simple input Analin file:
FILES_IN
PARM p1 prmtop;
STREAM s1 mdcrd;
FILES_OUT
TABLE tab1 radgyr.tbl;
DECLARE
GROUP groupid1 (RES 1-5);
OUTPUT
TABLE tab1 groupid1%radgyr;
END
But it shows errors in the output file, do you think it is because of my big mdcrd file? Thank you very much for your any advice!
CARNAL -
AMBER 8.0
COORDINATE ANALYSIS
input Analin
> FILES_IN
> PARM p1 prmtop;
Reading parm file (prmtop)
parm: opening prmtop
> STREAM s1 mdcrd;
Using default parm (prmtop) for STREAM s1
(box will be read from stream)
stream: opening mdcrd.
> FILES_OUT
> TABLE tab1 radgyr.tbl;
> DECLARE
> GROUP groupid1 (RES 1-5);
** Group groupid1: 1340 atoms
> OUTPUT
> TABLE tab1 groupid1%radgyr;
> END
(EOF reached on mdcrd)
STREAM s1: no more files/crds (iteration 2500)
SUMMARY
(EOF reached on mdcrd)
Internal error: stream file name 2 out of range
Esther B.
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Received on Sun Jan 28 2007 - 06:07:47 PST
