Hi, I want to plot 1. -SCD (lipid tail order parameters) profile for both the chains (sn1 and sn2)
2. Lateral diffusion of lipids 3. density profiles in presence and absence of peptide. I have plotted the above parameters in presence of peptide, for calculating in absence of peptide, do i need to simulate the POPC bilayer separately? I have used POPC128a bilayer from Peter Tieleman's site. I have simulations of POPC bilayer with peptide inserted in it for 60ns so can I simulate this bilayer till 60ns without peptide? what should be the nvt, npt parameters? can I simulate in the same manner as Justin's KALP tutorial skipping the peptide insertion part? Please help me....... thanks in advance -- Archana Sonawani-Jagtap Senior Research Fellow, Biomedical Informatics Centre, NIRRH (ICMR), Parel Mumbai, India. 9960791339 -- gmx-users mailing list [email protected] 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 [email protected]. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
