Peng Yi wrote:
I am trying to simulate alkane melt and found out that gromacs and
lammps gave different results, particularly the bonded interaction energy.
I wonder if anyone has such experience. Thanks,
Even two installations of the same version of GROMACS can give different
results. The question is whether when using comparable model physics you
observe the same ensemble averages.
Mark
_______________________________________________
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/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/mailing_lists/users.php
