[Xplor-nih] C terminal Amide

[Charles at Schwieters.org]

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Hi Sebastiano--

> I am new to Xplor:
> I am having troubles adding the C amide-conh2 capping to my last 
> residue.
> For some reason when I am trying to convert the pdb file to psf with 
> generate.inp script the last capping CTN does not get converted(CTN 
> does not get recognize in the parameter files).I am using protein.top 
> and protein.par in generate.inp
> Is there any patch that I am missing,and if so where should I added it.

Please try using seq2psf with the -amidate_cterm option. You'll need to
generate a sequence file for this:

seq2psf -amidate_cterm input.seq

regards--
Charles
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