Qiao Baofu wrote:
Hi,
I am using Gromacs 3.3.1. The .xtc file is obtained from mdrun, as
shown in the following
it has most likely been fixed in 3.3.2
we will shortly release a 3.3.3 version though.
; OUTPUT CONTROL OPTIONS
; Output frequency for coords (x), velocities (v) and forces (f)
nstxout = 0
nstvout = 0
nstfout = 0
; Checkpointing helps you continue after crashes
nstcheckpoint = 0
; Output frequency for energies to log file and energy file
nstlog = 1000
nstenergy = 100
; Output frequency and precision for xtc file
nstxtcout = 10
xtc-precision = 1000
2007/11/1, David van der Spoel < [EMAIL PROTECTED]
<mailto:[EMAIL PROTECTED]>>:
Qiao Baofu wrote:
> Hi, all
>
> When I using the .xtc file to analyse, I always meet the
following error
> information
> Specified frame doesn't exist or file not seekable
> While it works when using the .trr file. In analyzing, only the
> coordinate is used. Therefore, I want to use .xtc file. In this
way, it
> runs a little faster. However, the above proble exits. What's wrong
> with the .xtc file? and how to solve it?
>
gmx version please.
> Thanks!
>
> --
> Sincerely yours,
> Dr. Baofu Qiao
>
>
>
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>
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--
David van der Spoel, Ph.D.
Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone: +46184714205. Fax: +4618511755.
[EMAIL PROTECTED]
<mailto:[EMAIL PROTECTED]> [EMAIL PROTECTED]
<mailto:[EMAIL PROTECTED]> http://folding.bmc.uu.se
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--
Sincerely yours,
**********************************************
Dr. Baofu Qiao
Frankfurt Institute for Advanced Studies
Johann Wolfgang Goethe University
Ruth-Moufang Str. 1
60438 Frankfurt am Main, Germany
TEL:+49-69-79847522
**********************************************
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--
David van der Spoel, Ph.D.
Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone: +46184714205. Fax: +4618511755.
[EMAIL PROTECTED] [EMAIL PROTECTED] http://folding.bmc.uu.se
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