On Tue, Oct 19, 2010 at 4:14 PM, Sikandar Mashayak <symasha...@gmail.com> wrote: > Now I have upgraded to gromacs4.5.1 and when I check its template file , > its completely different that the earlier version. Does that mean old > post-processing codes have to rewritten if I were to use new gromacs?
No, it does not. Some function parameters have changed, and you will need to make small changes to your post-processing codes to make them compile with 4.5.1, but all the old functionality is still there. However, if you want to take advantage of the new selection functionality in 4.5 and make your post-processing tools much more powerful, you will need to use the new template. On Wed, Oct 20, 2010 at 00:40, Sikandar Mashayak <symasha...@gmail.com> wrote: > Also, will there be any errors if I use trajectory computed by gromacs4.5.1 > and use post processing code developed for gromacs4.0.7. If you change your tools to make them compile against 4.5.1, they should work just fine. If you use the ones compiled for 4.0.7, they should be able to read a trajectory from 4.5.1 without problems, but they can't read .tpr files from 4.5.1, so in practice you may run into problems. - Teemu -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
