Thank you, my system is not water, protein and ions. I have just mention them for example. My system is palmitic acid on NaCl surface, with water around. Problem is that I want use different set of palmitic acid charges actually for interaction between palmitic acid-NaCl and palmitic acid-water. I supposed that is not possible but thank you for confirmation.
Josip 2014-03-21 15:05 GMT+01:00 Mark Abraham <mark.j.abra...@gmail.com>: > No. Your protein parameters will be common to both, and your water-ion > interactions are defined implicitly by whatever you'd choose for their > interactions with protein. Moreover, you'd have no reason to suppose the > combination would work. See > http://www.gromacs.org/Documentation/Terminology/Force_Fields > > Mark > > > On Fri, Mar 21, 2014 at 2:44 PM, Josip Lovrić <josip7lov...@gmail.com > >wrote: > > > Hello dear gromacs users, > > > > lets say that we have 3 kinds of molecules in our system, for example > > water, protein and some ions. Is it possible to have one set Force field > > parameters of protein for protein-water and other for protein-ions > > interaction. > > > > Best Regards, > > Josip Lovrić > > -- > > 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. > > > -- > 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. > -- 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.
