On 11/12/17 5:51 PM, Amali Guruge wrote:
Dear Gromacs users, I tried to simulate a system which contains PEG and water. According to the phase diagram of PEG, it should form micells after the simulation. However, after the simulation PEG doesn't form micells. What could be the reason for this. Can anyone help me.
Any number of things, none of which you've described to us - insufficient simulation time, inadequate force field, mismatching conditions (i.e. not replicating experiment exactly), etc.
-Justin -- ================================================== Justin A. Lemkul, Ph.D. Assistant Professor Virginia Tech Department of Biochemistry 303 Engel Hall 340 West Campus Dr. Blacksburg, VA 24061 jalem...@vt.edu | (540) 231-3129 http://www.biochem.vt.edu/people/faculty/JustinLemkul.html ================================================== -- 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.
