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
--
========================================
Justin A. Lemkul, Ph.D.
Research Scientist
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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