Justin A. Lemkul wrote:
xianghong qi wrote:
Thanks for your response.
I followed the instruction in CVS. my architecture is x86-64, and
compiler is gcc. thanks.
Be careful to use a compatible gcc version (i.e., not 4.1.x). Bad
compilers can often produce nonfunctional executables.
-Justin
I will try 3.3.3
-Xianghong Qi
On Tue, Sep 16, 2008 at 4:02 PM, Justin A. Lemkul <[EMAIL PROTECTED]
<mailto:[EMAIL PROTECTED]>> wrote:
xianghong qi wrote:
Hi, everyone:
I am a beginner for Gromacs. I am using the latest version
Gromacs 4.0 beta1. Then I follow the tutorial part:
Introduction to MD <http://md.chem.rug.nl/education/mdcourse/>
by the Groningen group. Compiling is ok, but I always get the
Segmentation fault when I use command : genbox -cp
minimized_box.gro -cs spc216.gro -o minimized_water.gro -p
aki.top. Also I get the same problem when i try other exercises.
Does anyone has same problem like me ? or can anyone
give me a hint for that? Thanks in advance.
It sounds like your installation is faulty. What architecture are
you running on? What compilers did you use?
If you are just starting out, it is probably better to use an
official release of Gromacs (the latest being 3.3.3), since 4.0beta1
is still in development.
-Justin
-Xianghong Qi
-- Postdoctoral Associate
Department of Chemistry
University of Pittsburgh
Chevron Science Center
219 Parkman Avenue
Pittsburgh, PA 15260
Office: 338 EBERLY
Phone: 412-383-5400
Some people make the world more special just by being in it.
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-- ========================================
Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu <http://vt.edu> | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
========================================
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--
Postdoctoral Associate
Department of Chemistry
University of Pittsburgh
Chevron Science Center
219 Parkman Avenue
Pittsburgh, PA 15260
Office: 338 EBERLY
Phone: 412-383-5400
Some people make the world more special just by being in it.
--
========================================
Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
========================================
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