Hi, See http://www.gromacs.org/Documentation/How-tos/Steps_to_Perform_a_Simulation
Mark On Tue, 20 Jun 2017 06:49 Dilip H N <cy16f01.di...@nitk.edu.in> wrote: > Hello all, > I want to create a molecule (methylamine) and want to run the simulation > in CHARMM forcefield.. > 1] How can i create the molecule methylamine such tht its residues fit into > CHARMM forcefield..?? > 2] How do i get its topology/itp for running the simulation..??? > 3] If the required molecule is not there in the specific force filed (say > CHARMM), than how can i add the desired molecule into the forcefield tht i > needed with all its information (itp,rtp,etc..)..?? > > Thank you.... > > > -- > With Best Regards, > > DILIP.H.N > Ph.D Student > > > > <https://mailtrack.io/> Sent with Mailtrack > < > https://mailtrack.io/install?source=signature&lang=en&referral=cy16f01.di...@nitk.edu.in&idSignature=22 > > > -- > 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.