Hi, Posting just before a weekend isn't all that likely to get a quick reply... ;-) Note that your 2, 3, and 4 have Si-O-Si angles (and related dihedrals) which isn't found in 1, so you clearly cannot take the parameters for 1 and construct a complete topology for 2, 3, and 4. So you still have the problem of choosing a suitable force field parameterization process, and reference data for your molecules of interest.
Mark On Sun, Apr 29, 2018 at 5:52 PM Alex <alexanderwie...@gmail.com> wrote: > Any idea, please? > Cheers, > Alex > > On Fri, Apr 27, 2018 at 5:50 PM, Alex <alexanderwie...@gmail.com> wrote: > > > Dear all, > > I have the Gromos-54A7 force fields (FF) for the molecule number 1 in the > > below link, using thoes how I can have the FF for the molecules number > 2,3 > > and 4 in the same link without doing extra calculations? What could be > the > > relation between the FF of other molecule with the FF of molecule number > 1? > > Molecules 2,3 and 4 are the output of a kind of condensation reaction > > happening between two number 1 molecule in sequence. > > > > https://drive.google.com/open?id=1zqLSSdtDHrdVMO567WFSavAiVN-knLuX > > > > Thank you. > > Regards, > > Alex > > > -- > 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.
