first thank you for your attntion, i made ZnS nanosheet with VNL software,it has 33 atoms,i choosed vaccum gap,then i optimized and charged it with gaussian03,the amino acid is threonin,for the first time i want to study the interaction of these two structures, i am not even sure that my nano sheet is suitable for this simulation or not,but for the as a beginning i prfeer to test it.
On Wed, Oct 18, 2017 at 10:48 PM, Alex <nedoma...@gmail.com> wrote: > Hi, > > That would probably depend on the nanosheet material, the particular amino > acid, the solvent & ionic strength, temperature, etc, etc. But no, there is > no tutorial and yes, a "nanosheet" can be viewed as a ligand. :) > > I don't know if this helps, but could you please first give us an idea of > what you're trying to do? > > Alex > > > On 10/18/2017 1:09 PM, rose rahmani wrote: > >> Hi >> >> I am a beginner user of GROMACS, i want to simulate the interaction of >> nano >> sheet with amino acid ,but i dont know what should do, how should i behave >> with these structures ? is there any tutoroial for interaction of nano >> sheet and amino acids? >> is it like protein-ligand tutorial in GROMACS tutorial? >> >> with regards >> >> Rose >> > > -- > 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.
