Dear AMBER users,
I have performed a minimization of my protein based on NMR restraints. But final output file has lines like this:
O ILE 16 -- O HID 17: 4.338 4.110 0.228 1.041 d 135: 0
CB ARG 14 -- O ILE 16: 5.089 4.820 0.269 1.452 d 173: 0
O ILE 16 -- O ARG 18: 4.846 4.480 0.366 2.673 d 231: 0
O GLY 12 -- O ARG 14: 5.074 4.910 0.164 0.535 d 240: 0
O TRP 8 -- O ILE 9: 4.214 4.010 0.204 0.834 d 62: 0
H ILE 6 -- HA ILE 9: 4.290 3.980 0.310 1.918 d 221: 0
Does anybody have a suggesstion where the oxygen atoms come from (I expect there protons instead)? I guess this contributes to the energy value and distance penalties (which are quite high).
Regards,
Olena
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Received on Tue Feb 07 2012 - 08:30:03 PST
