Dear all I would like running a replica exchange simulation using gromacs and gpu. However when I Try to run the calculation I get this message
mdrun -multi is not supported with the thread library. how do I compile gromacs ? Could anyone confirm me the possibility to run 8 replicas on one GPUs or do I need 8 GPUs. Thanks Jacopo Jacopo Sgrignani PhD Istituto di Chimica del Riconoscimento Molecolare, CNR Via Mario Bianco 9, 20131 Milano (Italy) email: sgrigna (at) gmail.com -- 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
