Hi Szilárd! As I understood you correctly gromacs-4.6 have specific algorithm (independent on openMM?) for gpu-based calculations havent ? If it true how I should compilate such new gpu-based gromacs? In the gromacs-4.6-beta-3 folder I've found instructuon for the standart installation via cmake
cmake PATH_TO_SOURCE_DIRECTORY -DGMX_OPENMM=ON -DGMX_THREADS=OFF James 2013/1/7 Szilárd Páll <[email protected]>: > Szilárd -- gmx-users mailing list [email protected] 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 [email protected]. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
