I had this some time ago and cant remember everything, other than its a format problem. My end solution that worked was to simply cut and past in columns the entire pullf into one .xvg, say in gnumeric retaining an origional header, than read it into xmgrace, and then just write it out from xmgrace again to file xxx.xvg then it worked. I still could not find out why, and spent hours making sure everthing had same space numbers, or tab spacing, or etc...the only thing I noted was with xmgrace theirs a & or something at the end, but putting even this in manually to the files did not work...dont know if that helps...
Stephan
Gesendet: Dienstag, 25. Juni 2013 um 10:48 Uhr
Von: "Steven Neumann" <s.neuman...@gmail.com>
An: "Discussion list for GROMACS users" <gmx-users@gromacs.org>
Betreff: [gmx-users] Can't read 1048576 bytes of 'pullx500.xvg' to compute checksum.
Von: "Steven Neumann" <s.neuman...@gmail.com>
An: "Discussion list for GROMACS users" <gmx-users@gromacs.org>
Betreff: [gmx-users] Can't read 1048576 bytes of 'pullx500.xvg' to compute checksum.
Dear Users,
I know this error has been discussed many times but the outcome from
mdrun -pf and -px stopped at the same time which is 39470 ps. Somehow
gromacs caanot read pullx500.xvg but no clue why. I tried dos2gmx and still
the same error occur.
As I do not care about pullx500.xvg I run grompp again to change the tpr
file and set pull_nstxout = 0 then run from the checkpoint but then the
error occurs that 4 out of 5 files to append are only present.
Can you advise please?
Steven
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I know this error has been discussed many times but the outcome from
mdrun -pf and -px stopped at the same time which is 39470 ps. Somehow
gromacs caanot read pullx500.xvg but no clue why. I tried dos2gmx and still
the same error occur.
As I do not care about pullx500.xvg I run grompp again to change the tpr
file and set pull_nstxout = 0 then run from the checkpoint but then the
error occurs that 4 out of 5 files to append are only present.
Can you advise please?
Steven
--
gmx-users mailing list gmx-users@gromacs.org
http://lists.gromacs.org/mailman/listinfo/gmx-users
* Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
* Please don't post (un)subscribe requests to the list. Use the
www interface or send it to gmx-users-requ...@gromacs.org.
* Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
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