[gmx-users] size of the system

Justin A. Lemkul jalemkul at vt.edu
Tue Mar 11 20:38:45 CET 2008

The Ubuntu package I had for version 3.3.1 was broken, although it manifested
itself in different ways.  I would suggest obtaining the source code and
re-compiling Gromacs.


Quoting "V.V. Chaban" <vvchaban at gmail.com>:

> JAL> the gcc 4.1.x compilers produce a broken product.
> It seems everything is OK with genbox (ver. 3.1, deb package for
> UBUNTU). When doing the same with any protein.pdb (+water from
> spc216.pdb) it works. The problem occurs only when I deal with any pure
> solvent.


Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul at vt.edu | (540) 231-9080


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