Thank you very much.
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Today's Topics:
1. "Specified frame doesn't exist or file not
seekable" when
using .xtc (Qiao Baofu)
2. Re: "Specified frame doesn't exist or file not
seekable" when
using .xtc (David van der Spoel)
3. Re: "Specified frame doesn't exist or file not
seekable" when
using .xtc (Qiao Baofu)
4. Re: "Specified frame doesn't exist or file not
seekable" when
using .xtc (David van der Spoel)
5. *.gro output file being written to inverse
(Luciano Costa)
6. mdrun 3.3.2 crash - gmx_sumi called in serial
run with RF
(Michel Cuendet)
----------------------------------------------------------------------
Message: 1
Date: Thu, 1 Nov 2007 16:17:32 +0100
From: "Qiao Baofu" <[EMAIL PROTECTED]>
Subject: [gmx-users] "Specified frame doesn't exist
or file not
seekable" when using .xtc
To: [email protected]
Message-ID:
<[EMAIL PROTECTED]>
Content-Type: text/plain; charset="iso-8859-1"
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?
Thanks!
--
Sincerely yours,
Dr. Baofu Qiao
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Message: 2
Date: Thu, 01 Nov 2007 16:19:29 +0100
From: David van der Spoel <[EMAIL PROTECTED]>
Subject: Re: [gmx-users] "Specified frame doesn't
exist or file not
seekable" when using .xtc
To: Discussion list for GROMACS users
<[email protected]>
Message-ID: <[EMAIL PROTECTED]>
Content-Type: text/plain; charset=ISO-8859-1;
format=flowed
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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--
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
------------------------------
Message: 3
Date: Thu, 1 Nov 2007 16:27:39 +0100
From: "Qiao Baofu" <[EMAIL PROTECTED]>
Subject: Re: [gmx-users] "Specified frame doesn't
exist or file not
seekable" when using .xtc
To: "Discussion list for GROMACS users"
<[email protected]>
Message-ID:
<[EMAIL PROTECTED]>
Content-Type: text/plain; charset="iso-8859-1"
Hi,
I am using Gromacs 3.3.1. The .xtc file is obtained
from mdrun, as shown in
the following
; 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]>:
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?
=== message truncated ===
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