1. Could you please provide a physical equivalent of a non-periodic NPT
system?
2. Why can't you turn off the barostat, like GMX is asking?
Alex
On 3/4/2017 8:40 PM, Rajorshi Paul wrote:
I am trying to simulate water nano droplet spreading on an FCC crystal
substrate. I have not implemented periodic boundary conditions as my system
is non-periodic. But when I tried to equilibrate my system in NPT ensemble,
the program gives me a warning that I should set pressure coupling as "no".
Is it possible to run NPT equilibration in non-periodic system?
Thanks!
Raj.
--
Gromacs Users mailing list
* Please search the archive at
http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting!
* Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
* For (un)subscribe requests visit
https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a
mail to gmx-users-requ...@gromacs.org.
