On 4/26/12 12:36 PM, Yongchul Chung wrote:
Well, actually it has a meaning in the simulation that I am carrying out.
Ah, I remember a discussion about this some time ago and was recalling the wrong
side of it ;) What you're doing is relying on the virial to dictate the
pressure then. There have been a vast amount of changes between 4.0.7 and 4.5.5
so hopefully someone who has been involved with such action will know more. It
could be a sneaky bug, but I'm not stating that with 100% certainty.
-Justin
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
========================================
--
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
