Saumya wrote:
Hello all,
I am simulating a DMPC Lipid Bilayer and after running the energy
minimization, I obtained negative values for the pressure. Is it normal
to have those values? If not, How can I fix that? Kindly guide.
Instantaneous pressure values are rather meaningless, especially if you have
only done EM and not a true dynamics process (i.e. equilibration). See, for
instance:
http://www.gromacs.org/Documentation/Terminology/Pressure
In addition, these issues have been discussed dozens of times; please consult
the archives.
-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
