On 3/18/13 9:59 PM, Kieu Thu Nguyen wrote:
Thank Justin !
I made this rectangular box from merging two cubic boxes. And i carry out
equilibrate this box. Do you mean that i should run NVT, and next step run
NPT, to keep box shape fixed ?
I'm not making any recommendation. You haven't provided nearly enough
information to do so. Are the two liquids miscible? If they are, then the
outcome you reported before is to be expected. If they should not mix, then you
still have a problem. You need to post a complete description of what you're
working with, .mdp file(s) used, and ideally links to screenshots that show the
behavior you are describing. Without that information, it's largely guesswork
as to what's really going on.
-Justin
--
========================================
Justin A. Lemkul, Ph.D.
Research Scientist
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
