[gmx-users] "residuetype.dat" file missing

Justin Lemkul jalemkul at vt.edu
Thu Jan 17 11:39:16 CET 2013

On 1/17/13 1:25 AM, Devika N T wrote:
> Thank you Emanuel
> I have followed the path only usr/share/gromacs/top -- but was missing
> Then I followed /usr/local/gromacs/share/gromacs/top - I could find
> "residuetype.dat"
> Previously I was having gromacs version 4.0.7, now I have installed 4.5.5.
> So I doubt some problem which removing and installing...

If you have multiple versions on a given computer, it is always better to 
install them in separate (non-default) locations by specifying an installation 
location during configuration.  /usr/local/gromacs is the default install 
location.  If you want to have multiple versions running concurrently 
(switchable by sourcing the right GMXRC), you could use, for instance 
/usr/local/gromacs-4.0.7 and /usr/local/gromacs-4.5.5.



Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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