Do it the easy way. Find some literature that approximates your simulation and-after verifying their results with more lit- replicate their work
PB > On Jun 25, 2019, at 9:38 AM, starlight <starlight....@gmail.com> wrote: > > Hi, I want to perform some simulations to study the interaction of 2 very > small peptides with each other in the water. I want to put these peptides > separately in water to give a structure and then do a simulation of them > with each other in water to study the peptide-peptide interaction. I need > to know the position of the hydrogen bonds that form between these peptides > in water. > So I want to know about the true force field and water molecule model for > these simulations. I find few articles that try some force fields to such > simulations but they don't say which ff is more appropriate than the > others. Would you please help me to know about it and recommend some > articles. Thank you > -- > 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.
