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.itcc.nju.edu.cn
2004-09-25
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Received on Sat Sep 25 2004 - 03:53:00 PDT
