I understood that but how I can add that groups to termi of the bowh of my chains ?
I've tried by -ter but pdb2gmx didnt ask me for the addition of the CAPS. May be Amber ff didnt support this feature ? James > > You have to build capping groups onto the termini. See, for instance the > [ACE] and [NME] groups in the .rtp file. > > -Justin > > >> >>
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