AMBER Archive (2004)

Subject: AMBER: nmode error

From: Xiao He (hx_at_itcc.nju.edu.cn)
Date: Fri Sep 24 2004 - 21:17:24 CDT

NMODE Error

          *******************************************************
          Initiate the NMODE module of AMBER 8
          *******************************************************

  File generated by mm_pbsa.pl
       ntrun maxcyc ibelly drms
          1 100 0 0.10E-02
       rcut scnb scee dielc idiel
     99.00000 2.00000 1.20000 4.00000 0
      nsave dfpred bdwnhl smx emx alpha ndiag
         20 0.01000 0.10000 0.08000 0.30000 0.80000 10
 ipol = 0
 i3bod = 0
 nvect = 0
     Binary format used for input coords.
| New format PARM file being parsed.
| Version = 1.000 Date = 09/24/04 Time = 11:45:17

    PARM file has the title:

Total memory required : 349198177 real words

Total memory required : 13240497 integer words

Maximum nonbond pairs 12920985
ASSERTion 'ier == 0' failed in nmode.f at line 105.

What's the problem?

　　　　　　　　Xiao He
　　　　　　　　hx_at_itcc.nju.edu.cn
　　　　　　　　　　2004-09-25

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