Hello vitaly.
I had this problem.
as was said in this message : https://www.jiscmail.ac.uk/cgi-bin/webadmin?A2=ind1101&L=CCPNMR&P=R8787&1=CCPNMR&9=A&J=on&X=EAC1834151596AACC8&Y=edith.gincel%40parisdescartes.fr&d=No+Match%3BMatch%3BMatches&z=4
you must do something in ARIA.
I tried to solve it by changing the topallhdg5.3.pro and parallhdg5.3.pro files in ARIA toppar files.
In my case, I wanted to add a non peptidic link between a GLU (32) residue to a LYS(1) one, so the file itself may not be useful for your case
But if you want a "classical" peptidic link, you must had a presidue (peptide bond link) between your last and final residue.
(in the topallhdg5.3.pro file) for instance, you can call it PEPC
and the parameters (in parallhdg5.3.pro)
impropers (to have a planar peptidic link )
dihedrals
and then, in topallhdg5.3.pep, declare this presidue you made. (PEPC)
in my case, it was :
first PEPC tail + LYS end
last PEPC head -GLU end
eventually, in the generate.inp you had the patch you made (PEPC)
for me : *
PATCH PEPC
reference = "-" (resid 32)
reference = "+" (resid 1)
end
I hope it can help you...
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