[gmx-users] [Fwd: g_sas in GROMACS]

David van der Spoel spoel at xray.bmc.uu.se
Sat Apr 14 21:30:55 CEST 2007

David van der Spoel wrote:

> Dear Dr van der Spoel,
> Please advise us to sort out the following situation with Gromacs.
> I installed Gromacs version 3.3.1 and Amber force fields for Gromacs 
> (for DNA analysis). Then I used pdb2mx program in order to create 
> topology files, which had been successfully executed. After that I tried 
> to use pdb and topology DNA files in G_SAS program. At this point the 
> message: "Can not read file    this file is from a Gromacs version which 
> is older than 2.0. Make a new one with grompp or use a gro or pdb file, 
> if possible" was generated. I also failed to launch G_SAS program with 
> protein files.
Please be more specific on what kind of computer and OS you used and 
give the steps you did. It could be anything from compiler issues to a 
bad disk.

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://folding.bmc.uu.se

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