http://selene.princeton.edu/FFPTM/
On Fri, Jan 8, 2016 at 9:52 AM, Simone Bolognini <simo.bologn...@gmail.com> wrote: > Hi everyone, > I need to run some MD simulations with a protein where a particular serine > should be phosphorylated. Since in the original pdb the serine is actually > not, I guess I should modify something 'by hand'. I'm going to use > AMBER-ILDN ff. Can anyone of you tell me what should I do? My first guess > was to generate the topology and then directly substitute my serine with > the phosphorylated one (looking for the AMBER-ILDN parameters), but > sincerely I don't know if this is the correct way to proceed. > > Thanks a lot for your support! > Simone > -- > 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. > -- Changrong Ge, PhD Division of Medical Inflammation Research Department of Medical Biochemistry and Biophysics (MBB) Karolinska Institutet Scheeles väg 2, B2 Plan 4 SE-171 77 Stockholm Sweden Tel: +46-8-524 86337 , Mobile: +46-(0)76-2878 029 Fax: +46-8-524 87750 , Email: changrong...@ki.se <changr...@dbb.su.se> or changrong...@gmail.com -- 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.
