Hi, I found a couple of papers doing MD on colchicine and tubulin in a few minutes on Google - maybe you should start there and also check your work will be novel :-)
Mark On Sat, May 26, 2018 at 8:00 AM Harutyun Sahakyan <sahakya...@gmail.com> wrote: > Hi all, > > > > I use gromacs for MD simulations, but use charmm or amber force fields, did > someone try to generate the colchicine topology? I try to do it using > CGenFF, but get to high penalty score due to dihedrals. And which force > field is better for protein-ligand simulation (tubulin-colchicine)? > > > > Thank you in advance, > > Harut > -- > 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.
