Dear Amber user
I have a question on the violation of limit of NMR restraints in amber
structure calculation. Below is a out put file that I have got sviol2
command. If I understood correctly mean is my deviation from the target
value (bin). In my case I have 0.2+/-0.05 A° violation my questions is
are these in the allowed limit. My system is chimeric in addition to NOEs
there is also contribution from the quality of the force field. Could any
one suggest me whats is the allowed violation limit (mean) for a routine
NMR calculated stuctures.
thanks
Vince
PS: vilations
---------------------------------------------------------------
#viols mean bin first atom second atom xpkno
---------------------------------------------------------------
1 0.211 3.500 H ALA 12 -- H ARG 13 0:
1 0.198 3.000 N OUH 22 -- O OUH 19 0:
1 0.197 2.200 HN2 OUK 20 -- O OUR 18 0:
1 0.197 2.200 H OUH 22 -- O OUH 19 0:
1 0.190 3.500 HA OUR 18 -- HN2 OUR 18 0:
1 0.187 2.500 H OUK 17 -- HN2 OUE 16 0:
1 0.182 2.200 HN2 OUH 22 -- O OUK 20 0:
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Received on Mon May 30 2016 - 08:00:03 PDT
