Hi,
This does not look right indeed. You should give more details about your simulations parameters: Pcoupling, T, compressibility, [chol], bix size, time step ... XAvier
Hi, all: I'm trying to embed cholesterol molecules into a DOPC bilayer in a coarse grained model. The force field and coordinates for a pure DOPC bilayer and for cholesterol were obtained on the MARTINI's site. I randomly replace a DOPC molecule with a cholesterol molecule and do the energy minimization. After embedded a certain amount of cholesterols, I run the simulation by coupling DOPC and CHOL together to a thermostat. However, the cholesterols turn to be very unstable and flip-flop a lot between the monolayers, which I think is not expected. Any suggestions will be greatly appreciated.Thank you. dj
----------------------------------------------------- XAvier Periole - PhD NMR & Molecular Dynamics Group University of Groningen The Netherlands http://md.chem.rug.nl/~periole ----------------------------------------------------- _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
