Hello Albert, Thanks. Yes, CHARMM36 indeed handles lipids very well. But currently GROMACS 4.5.5 provides only the option for CHARMM27 FF and I found that ff43a1 very well preserves the characters of both the protein as well as the lipids for fairly long simulation time, hence I used that FF in the tutorial. But one can surely add CHARMM36 to GROAMCS by doing all the necessary topology conversions.
Regards, Anirban On Thu, Apr 26, 2012 at 3:08 PM, Albert <mailmd2...@gmail.com> wrote: > it seesm to be good. > just one pieces of advices, why not use CHARMM36 for this tutorial ? since > it is the best FF for lipids currently. > > > On 04/26/2012 11:14 AM, Anirban Ghosh wrote: > > Hi ALL, > > I have prepared a step-wise tutorial for running a MD simulation of a > GPCR protein inserted in a lipid bilayer. It can be found at the following > URL: > > https://sites.google.com/site/anirbanzz/gpcr-gromacs-tutorial > > I sincerely hope it will help people who are new to such simulations and > the GROMACS community in general. This tutorial is adapted from the > membrane protein tutorial prepared by Justin Lemkul. > > > Regards, > > Anirban > > > > > -- > 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 >
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