[gmx-users] Parametrisation of the heteroatomic pdb

James Starlight jmsstarlight at gmail.com
Fri Oct 28 17:38:31 CEST 2011

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 ?


> 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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