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.
