From: Jim Phillips (jim_at_ks.uiuc.edu)
Date: Tue Sep 23 2003 - 11:20:13 CDT
Hi,
Digging through the plugins source code...
First, read_dcdreader is a typo, it should be read_dcdheader, and...
#define DCD_EOF -1 /* Normal EOF */
#define DCD_DNE -2 /* DCD file does not exist */
#define DCD_OPENFAILED -3 /* Open of DCD file failed */
#define DCD_BADREAD -4 /* read call on DCD file failed */
#define DCD_BADEOF -5 /* premature EOF found in DCD file */
#define DCD_BADFORMAT -6 /* format of DCD file is wrong */
#define DCD_FILEEXISTS -7 /* output file already exists */
#define DCD_BADMALLOC -8 /* malloc failed
So, the format is wrong somehow. Try loading this DCD file in VMD. If it
doesn't work in VMD then there is probably something wrong with the file.
-Jim
On Mon, 22 Sep 2003, Liu, Zhanwu wrote:
> Dear Jim,
>
> I am trying to use the new command "coorfile" to analyze trajectories,
> but it seems like doesn't working in my case. Part of the output file
> is enclosed. Do you have any idea where the error come from?
>
> Thanks
>
> Yours Zhanwu
>
> Zhanwu Liu, Ph.D.
> Department of Anesthesiology
> University of Pittsburgh
> ==========================
>
>
> Info: Entering startup phase 0 with 7865 kB of memory in use.
> Info: Entering startup phase 1 with 7865 kB of memory in use.
> Info: Entering startup phase 2 with 10503 kB of memory in use.
> Info: Entering startup phase 3 with 10753 kB of memory in use.
> Info: PATCH GRID IS 3 (PERIODIC) BY 2 (PERIODIC) BY 3 (PERIODIC)
> Info: REMOVING COM VELOCITY 0 0 0
> Info: LARGEST PATCH (0) HAS 944 ATOMS
> Info: Entering startup phase 4 with 13246 kB of memory in use.
> Info: Entering startup phase 5 with 13246 kB of memory in use.
> Info: Entering startup phase 6 with 13246 kB of memory in use.
> Info: Entering startup phase 7 with 13247 kB of memory in use.
> Info: COULOMB TABLE R-SQUARED SPACING: 0.0625
> Info: COULOMB TABLE SIZE: 769 POINTS
> Info: NONZERO IMPRECISION IN COULOMB TABLE: 0 (0) 6.31089e-30 (712)
> Info: NONZERO IMPRECISION IN COULOMB TABLE: 0 (0) 7.7755e-23 (712)
> Info: Entering startup phase 8 with 17739 kB of memory in use.
> Info: Finished startup with 20177 kB of memory in use.
> read_dcdreader returned -6
> TCL: coorfile: Error opening file /tmp/zliu4/test.dcd
> FATAL ERROR: coorfile: Error opening file /tmp/zliu4/test.dcd
> while executing
> "coorfile open dcd "/tmp/zliu4/test.dcd""
> (file "AnalysisScript.conf" line 45)
> FATAL ERROR: coorfile: Error opening file /tmp/zliu4/test.dcd
> while executing
> "coorfile open dcd "/tmp/zliu4/test.dcd""
> (file "AnalysisScript.conf" line 45)
>
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