Hi Gromacs Friends, I completed the Justin Protein KALP - lipid tutorial ...
I want to simulate the DPPC lipid bilayer membrane under Stress condition ( Lateral tension = 20 mNm/m).. For stress condition I made the following npt.mdp ; Temperature coupling is on tcoupl = Berendsen ; More accurate thermostat tc-grps = Protein DPPC SOL_CL ; three coupling groups more accurate tau_t = 0.1 0.1 0.1 ; time constant, in ps ref_t = 323 323 323 ; reference temperature,one for each group, ; Pressure coupling is on pcoupl = Berendsen ; Pressure coupling on in NPT pcoupltype = ?????????? ; uniform scaling of x-y box vectors, independent z tau_p = 0.5 ; time constant, in ps ref_p = -30.0 1.0 ; reference pressure, x-y, z (in bar) compressibility = 5.0e-5 5.0e-5 ; isothermal compressibility, bar^-1 What pcoupl type Should be used Semisotropic or Surface tension..???? and why??? Thank you in advance... With Best Wishes and regards , Rama. -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Only plain text messages are allowed! * 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