Hi,
I want to fix the pressure during the simulation so I use pressure
coupling. I set the reference potential to 1 (the unit is bar as the
manual says). Nevertheless, the log file shows much higher pressures
(can reach the order of 1e+03 and again it seems the unit is bar).
Moreover, it fluctuates alot, both for Berendsen and Parrinello-Rahman
coupling. Can anybody help me to identify the reason?
Thank you very much,
Regards,
George
_______________________________________________
gmx-users mailing list gmx-users@gromacs.org
http://www.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 [EMAIL PROTECTED]
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
