[gmx-users] "residuetype.dat" file missing
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
> 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.
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
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