Hi gromacs users, I intend to perform thermodynamic integration of my system, but not to calculate the free energy. I want to gradually increase the radius of the carbon atoms of the alkyl chains of my lipid molecules. This is because I could see a hole forming in my lipid bilayer along the edges of the simulation box and the water molecules pass through it.
Once the system with the bigger radius equilibrates, I would then gradually beat down the radius to the original value. Could someone suggest ways to do it in gromacs? Thanks in advance! Best, Pallavi Banerjee -- 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.
