[gmx-users] (no subject)

[David]

On Mon, 2005-09-19 at 16:43 +0000, Eva Priego wrote:
> Dear users,
> 
> I have concatenated two trajectory files from a crashed md and I would like to
> convert it to a .pdb file. When I use the trjconv command I get this error:
> 
> 
> 
> trjconv_d -f hlab.trr -o hlabmd.pdb
> 
> Will write pdb: Protein data bank file
> 
> Fatal error: File topol.tpr not found
> 
> 
> 
> As I have rerun the md I have two .tpr files, the initial one before the crash
> and the one  I have created with tpbconv to continue the md.
> 
> Which one do I have to put in trjconv?. I am using gromacs 3.2.1
> 
run trjconv_d -h to see options
(or any other program)
> 
> 
> Thanks in advance
> 
> 
> 
> Eva
> ---------------------------------------
> 
> Dr. Eva Maria Priego
> 
> Department of Biochemistry. University of Cambridge
> 
> 80 Tennis Court Road. Cambridge CB2 1GA. U.K.
> 
> e-mail:evamaria at cryst.bioc.cam.ac.uk
> 
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,          75124 Uppsala, Sweden
phone:  46 18 471 4205          fax: 46 18 511 755
spoel at xray.bmc.uu.se    spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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