On 30/07/2012 8:34 PM, rama david wrote:
thank you for immediate reply...
Suppose, If I installed from Fedora software packages
How to check that Gromacs installed in Parallel version and can
performed REMD????
Make topol0.tpr and topol1.tpr as copies of the same .tpr file, and run
mpirun mdrun_mpi -multi 2 -replex 10
It won't do REMD, but it'll complain about the temperatures being the
same, which serves to test that REMD will work.
Or just set up a proper REMD system and try it. See manual and webpage
advice.
Mark
--
gmx-users mailing list gmx-users@gromacs.org
http://lists.gromacs.org/mailman/listinfo/gmx-users
* Only plain text messages are allowed!
* 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
