Dear Dr. Justin Thank you for your reply
You are right, I am sorry for my mistake. I meant Phosphate and Sulfate ions. I want to have these ions in my solution. On Mon, Oct 21, 2013 at 1:37 PM, Justin Lemkul <jalem...@vt.edu> wrote: > > > On 10/21/13 4:45 AM, Mohsen Ramezanpour wrote: > >> Dear users >> >> I want to use some ions in my simulation (Phosphorus, Sulfur and ...). >> >> How can I know in which FF these are present? >> > > Phosphorus and sulfur aren't ions. There are P and S atomtypes in most > force fields that are suitable for several types of functional groups, but > I suspect your description simply isn't accurate enough to begin to guess. > > > And what can I do if no FF include the interested Ions? >> >> > The answer to this question is always the same - derive them in a manner > consistent with a force field you have reason to believe will be adequate > for simulating the species of interest. > > -Justin > > -- > ==============================**==================== > > Justin A. Lemkul, Ph.D. > Postdoctoral Fellow > > Department of Pharmaceutical Sciences > School of Pharmacy > Health Sciences Facility II, Room 601 > University of Maryland, Baltimore > 20 Penn St. > Baltimore, MD 21201 > > jalemkul@outerbanks.umaryland.**edu <jalem...@outerbanks.umaryland.edu> | > (410) 706-7441 > > ==============================**==================== > -- > gmx-users mailing list gmx-users@gromacs.org > http://lists.gromacs.org/**mailman/listinfo/gmx-users<http://lists.gromacs.org/mailman/listinfo/gmx-users> > * Please search the archive at http://www.gromacs.org/** > Support/Mailing_Lists/Search<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<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