We have performed relatively long simulations of a WALP23 peptide embedded in DLPC and DOPC bilayers with different flavors of the Amber FF family. Currently I am working with much bigger protein and see good agreement between the simulations and experiments.
You could probably use those bilayers with CHARMM, just make sure you equilibrate a while before just to be safe. Best, Joakim On Dec 19, 2012, at 19:22 , gmx-users-requ...@gromacs.org wrote: > Date: Wed, 19 Dec 2012 18:45:33 +0300 > From: James Starlight <jmsstarli...@gmail.com> > Subject: Re: [gmx-users] Pre-equilibrated CHARMM lipid bilayers > To: Discussion list for GROMACS users <gmx-users@gromacs.org> > Message-ID: > <CAALQopyMeJ=g7lrgj+n2pdseo_fw77xzhr38b4eafjmam06...@mail.gmail.com> > Content-Type: text/plain; charset=ISO-8859-1 > > Hi Joakim! > > MAny thanks for such big collection of the bilayers. Have your > simulated different protein embedded in that bilayers ? What force > field did you use for parametrisation of the proteins for such > simulations ? From the mdp file I noticed relatively big cutoffs for > vdw as well as electrostatics ( bigger than in charmm force fields). > Would it possible to simulate proteins parametrized by charmm in that > lipids ussing charmm parametres for whole system? > > > Thanks again, > > James -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
