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

David van der Spoel spoel at xray.bmc.uu.se
Sat Apr 14 21:27:51 CEST 2007

-------- Original Message --------
Subject: g_sas in GROMACS
Date: Sat, 14 Apr 2007 21:35:59 +0400
From: Evstigneev Maxim <max_evstigneev at mail.ru>
Reply-To: Evstigneev Maxim <max_evstigneev at mail.ru>
To: spoel at gromacs.org

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.

Thank you in advance.

Dr Maxim P. Evstigneev,
Reader of Physics and Biophysics,
Department of Physics,
Sevastopol National Technical University, Ukraine

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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