[gmx-users] question

[shahrbanoo karbalaee]

Dear mark.
that is right.NH2 were heteroatoms.and the gromacs take error for it because
"the residue 14 (=NH2) donot have ca.then I changed it in pdb file to
atom.but it doesnot accept.
NH2  in c terminal make sense coo- and one bond NH2.Do i delete heteroatom
and run md it?

thanks

-- 
sh-karbalaee
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