HI!
Hope you all will be fine.
Version : Gromacs5.1.4
Thank you for your reply. According to your advice I have pasted parameters for
acetylated lysine (ALY) from “stream/prot/toppar_all36_prot_modify_res.str
(RESI ALY)” in the Charmm36ff (merged.rtp). As you suggested that just create a
new .rtp entry based on LYS and add it to residuetypes.dat. Can we rename
merged.rtp with new .rtp? How to create new.rtp? Can we add ALY as protein in
residuetypes.dat? When we past ALY parameters in merged.rtp gives the
following error
:at line ALY
error *.
I have removed these asterisk (*) but it gives the following error:
: in .rtp file in residue
ALY at line
: Atom N NH1 -0.47 !.
Would you like to please tell me how these parameters should be integrated in
any force field or in Charmm36 that it works smoothly.
Thank you
Mehreen Gul
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