On 9/02/2012 6:05 AM, ramesh cheerla wrote:
Dear Gromacs users,

As i am planning to use Gromacs for simulations of my system consisting of CH3-CH2-O, and as the CH3-CH2-O residue parameters are not available by default in charmm27.ff, so i am trying to add the parmeters of this residue to charmm27.ff,but struck where i am not sure how to assign charge group codes which will be denoting the charge group numbers for the atoms of this residue in .rtp file.Is there any procedure that has to be followed to assign particular values as charge group codes.

One atom per charge group. There's discussion of this issue in the mailing list archives.

Mark
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