[gmx-users] cholesteryl oleate parameters-reg

Revthi Sanker revthi.sanker at yahoo.com
Wed Jun 19 15:46:22 CEST 2013

​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) :


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 

Thank you in advance.

Yours sincerely,

M.S. Research Scholar
Indian Institute Of Technology, Madras

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