Dear all, I found a paper where they have updated the c36 forcefield to include cholesterol parameters ( to which I should be able to modify by adding an oleate chain to get my cholesteryl oleate moiety) :
http://pubs.acs.org/doi/pdf/10.1021/jp207925m and I found this link: http://lists.gromacs.org/pipermail/gmx-users/2010-October/054515.html and further obtained the file: toppar_all36_lipid_cholesterol.str file. Should I try converting *.str file to an itp file that is compatible with gromacs or can I add this as a new molecule to the existing lipids.rtp in the charmm36.ff folder? Which would be a cleaner way of doing it? I am unable to decide in this regard. Kindly provide me your valuable suggestions. Thank you in advance. Yours sincerely, Revathi.S M.S. Research Scholar Indian Institute Of Technology, Madras India ______________________________ -- 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
