AMBER Archive (2002)

Subject: ERROR from RESNBA

From: X. Tan (xjtan_at_u.washington.edu)
Date: Tue Feb 19 2002 - 19:39:21 CST

Hi, Dear all,

I got the following message when running gibbs.

---------------
 Note: Constrained bond ( 8493- 8494) is part of a ring
 Note: Constrained bond ( 8493- 8504) is part of a ring
 Note: Constrained bond ( 8486- 8490) is part of a ring
 Note: Constrained bond ( 8482- 8486) is part of a ring
 Note: Constrained bond ( 8478- 8482) is part of a ring
 Note: Constrained bond ( 8477- 8490) is part of a ring
 Note: Constrained bond ( 8475- 8477) is part of a ring
 Note: Constrained bond ( 8475- 8478) is part of a ring
 Number of triangulated 3-point waters found: 14516
 Solute/solvent pointers:
     IPTSOL= 530 NATRCM= 8515
     IPTRES= 530 IPTATM= 8515
     NSPSOL= 21 NSPSTR= 8515
     NSOLUT= 8515 NATOM =52063 | Total accumulated time: 23.14 (seconds)
/ 0.01 (hours)
 %GIBBS-I-NEWRUN, Begining NRUN = 1
 ERROR from RESNBA: Number of non-bonded pairs exceeds the maximum
       allowable ( 35881958). Increase integer storage.

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I am not sure whethere it relates to machinedep.f file, and how to solve
it.

Xiaojian