Hi, On Mon, May 28, 2018 at 9:17 AM Alex <nedoma...@gmail.com> wrote:
> Mark, please don't be one of those people telling young researchers that > everything has already been done. :) > That's not my intention - someone seeking a topology would do well to a) know the past research to inform their decisions, including whether to repeat deliberately, and b) also ask them to share input files. > My postdoc (a fellow, actually -- with her own project & funding) is > reading all these horrible papers and, according to her, everything has > been done. Drives me nuts! > A lot of past work is horrible, yes :-) Mark > Alex > > > On 5/28/2018 1:11 AM, Mark Abraham wrote: > > 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. > -- 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.