Hey Victor Thanks for suggestions.
cheers sikandar On Wed, Sep 28, 2011 at 4:36 AM, Victor Ruehle <[email protected]> wrote: > Hey, > > I would advise you to recompile VOTCA against the new Gromacs version. > That has two reasons: > > 1) The Gromacs .tpr files contain a version number, the old version > might not be able to open newer files anymore > 2) Even though it's dynamic linking, the interface of the libgmx might > have changed. This could lead to unexpected results and crashes (In > principle there are version numbers for libraries, however, for a > software which is ongoing rapid development like gromacs, this might > not be as strict). > > So 1) would work if you leave the old installation at it's place. If > you compile against the new version, make sure cmake catches the > correct path to new version. You might have to delete the > CMakeCache.txt file in csg. > > Best, > Victor > > 2011/9/27 Sikandar Mashayak <[email protected]>: > > Hi > > > > I plan to upgrade the version of gromacs on my machine. So, I wonder do I > > need to make any changes in Votca installation so that it can find > > appropriate gromacs binaries and libraries? > > > > thanks > > sikandar > > > > -- > > You received this message because you are subscribed to the Google Groups > > "votca" group. > > To post to this group, send email to [email protected]. > > To unsubscribe from this group, send email to > > [email protected]. > > For more options, visit this group at > > http://groups.google.com/group/votca?hl=en. > > > > -- > You received this message because you are subscribed to the Google Groups > "votca" group. > To post to this group, send email to [email protected]. > To unsubscribe from this group, send email to > [email protected]. > For more options, visit this group at > http://groups.google.com/group/votca?hl=en. > > -- You received this message because you are subscribed to the Google Groups "votca" group. To post to this group, send email to [email protected]. To unsubscribe from this group, send email to [email protected]. For more options, visit this group at http://groups.google.com/group/votca?hl=en.
