modification of CHARMM force field

Date: Fri Jun 25 2010 - 20:05:56 CDT

Dear all:

I am using NAMD to do molec ular dynamics simulation of a biological system which
includes protein, lipid and urea. However, in CHARMM force field
(top_all27_prot_lip.rtf and par_all27_prot_lip.prm), there is no related
parameters for urea. So, is it correct to copy all parameters of urea from CGenFF
force field and simply paste them in top_all27_prot_lip.rtf and
par_all27_prot_lip.prm, according to their order? Should I need other
modifications to make my system work normally? I would highly appreciate for your
help! Thank you very much.


Xubin Li
Lanzhou University

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