Very thank you for your suggestion and being so kind. I will write a new detailed subject and explain my purpose.
On Sat, Jun 2, 2012 at 10:23 AM, Christopher Neale < chris.ne...@mail.utoronto.ca> wrote: > No, the point is that the equilibrium surface area is near zero in the > context of PBC and you need > > special tricks to keep the system away from that equilibrium. > > There will always be a force toward reducing the surface area of the > > hydrophobic/hydrophilic interface. It is possible to disallow this force to > cause system > > relaxation by using an incompressible Cartesian z (or x and y), but as soon > as you let that go > > the system will then relax toward the tall and thin column of aliphatic > chains. > > Perhaps you should return to the list with a detailed description of what > > you are trying to accomplish and you might get some help. I doubt that I can > help that part, > > but there is likely somebody out there who can. Also, you will increase your > chances of > > getting help from somebody like me (expert gromacs user who is totally > ignorant of your > > particular field of study) by giving proper explanations of thing like the > > "interfacial tension of surfactant at oil/water interface". I know that it > makes sense to you > > (and probably lots of other people), but I for one don't know exactly what > you are trying to > > accomplish. > > > Chris. > > > > -- original message -- > > Dear Chris: > > Thank you for your help. Maybe I can try it as this. First set x and y > fixed by setting compressibility = 0 4.5e-0.5 until the system > reaching equilibrium and then release. If it sounds reasonable. I am > trying to do it. > > Dear Hugh: > > > -- > 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 >
-- 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
