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 as a beginning i prefer to test it
On Wed, Oct 18, 2017 at 11:20 PM, rose rahmani <rose.rhm...@gmail.com> wrote: > 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.