AMBER Archive (2005)

Subject: AMBER: rdparm: a parameter array overflowed

From: ying xiong (yxiong99_at_163.com)
Date: Mon Oct 24 2005 - 04:17:33 CDT

Dear sir,
     I met the following problem: I don't know what'a matter with my minimization.
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Here is the input file:

minimize 1PRC in WAT, No constrain
 &cntrl
  imin = 1,
  maxcyc = 4000,
  ncyc = 500,
  ntpr = 50,
  ntb = 0,
  ntr = 0,
  cut = 10.0,
 /

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   1. RESOURCE USE:
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| Flags:
| NONPERIODIC ntb=0 and igb=0: Setting up nonperiodic simulation
| New format PARM file being parsed.
| Version = 1.000 Date = 10/24/05 Time = 17:18:46
 NATOM = 18610 NTYPES = 19 NBONH = 9173 MBONA = 9638
 NTHETH = 20949 MTHETA = 13180 NPHIH = 39052 MPHIA = 24559
 NHPARM = 0 NPARM = 0 NNB = 102825 NRES = 1204
 NBONA = 9638 NTHETA = 13180 NPHIA = 24559 NUMBND = 94
 NUMANG = 202 NPTRA = 69 NATYP = 61 NPHB = 0
 IFBOX = 0 NMXRS = 86 IFCAP = 0 NEXTRA = 0

     rdparm: a parameter array overflowed

            (e.g. the table of dihedral params)
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　　　　　　　　ying xiong
　　　　　　　　yxiong99_at_163.com
　　　　　　　　　　2005-10-24

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