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
yxiong99.163.com
2005-10-24
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Received on Mon Oct 24 2005 - 10:53:00 PDT
