Dear All,
Could anybody help me with this error message that I find in refine.out (ARIA2, CNS 1.2) in the TEMP directory:
no=545, id=5979, vol=1.999020e+06
restraint successfully read: 182
reading restraint 183
SELRPN: 1 atoms have been selected out of 3151
SELRPN: 1 atoms have been selected out of 3151
NOE> or (segid " A" and resid 147 and name HN) (segid " A" and resid 142 and name HG22)
%NOE-ERR: allocation for NOE-restraints exceeded
increase NRES parameter and run again
%NOE> error encountered: exceeded allocation for NOE-restraints
(CNS is in mode: SET ABORT=NORMal END)
*****************************************************
ABORT mode will terminate program execution.
*****************************************************
Program will stop immediately.
============================================================
Maximum dynamic memory allocation: 4251648 bytes
Maximum dynamic memory overhead: 468 bytes
Program started at: 18:23:44 on 06-Apr-2011
Program stopped at: 18:23:44 on 06-Apr-2011
CPU time used: 0.1271 seconds
============================================================
I goes through all 20 structure calculation attempts for iteration 0 and then stops. I am assuming that I have not enough memory allocated for the calculation, but I failed to fix it.
I'd glad for any suggestions.
ATB,
Piotrek
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