Hi, I did not fully understand what you have done. But my suggestion will be to use the pre-build tip4p.gro to build the water box and then perform the simulation with the topology of tip4p-ice and run long enough to allow the molecular system to relax, then check RDF. If the profile is not what expect, cross check the TIP4P-ICE topology file. Best regards Alessandra
On Thu, Jan 30, 2020 at 10:26 AM mbhendle <mbhen...@iitk.ac.in> wrote: > Dear all, > > I want to use TIP4P-ICE water model for my simulations, but inbuilt .gro > file of TIP4P-ICE is not available in Gromacs 2018. I tried alternate > method by solvating using TIP4P model and then by changing the "itp" > file of TIP4P in topology file with that of TIP4P-ICE. > > But the result of this simulation(RDF) is very different from that of > literature. Please suggest any alternate approach. > > Thanks & Regards, > > Mangesh Bhendale > -- > 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.