[gmx-users] wat is the way to solve this prob

vijay kumar kvk_victor at yahoo.co.in
Sun Jul 22 09:40:31 CEST 2007


what is way to solve this prob Chain identifier '5'
was used in two non-sequential blocks (residue 4, atom
4)
the pdb file is for Si atoms 
no. of atoms 32 at differeent places
ATOM  1  Si        .66599000      .66599000     
.66599000
ATOM  2  Si      7.30599000      .66599000     
.66599000
ATOM  3  Si      5.97401000     2.65401000     
.66599000
ATOM  4  Si       .66599000     7.30599000     
.66599000
ATOM  5  Si        .66599000     5.97401000    
2.65401000
ATOM  6  Si           .66599000      .66599000    
7.30599000
ATOM  7  Si       2.65401000      .66599000    
5.97401000
ATOM  8  Si       3.98599000     3.98599000    
3.98599000
ATOM  9  Si          2.65401000     2.65401000    
2.65401000
ATOM  10 Si      3.98599000     2.65401000    
5.97401000
ATOM  11 Si      2.65401000     3.98599000     
.66599000
ATOM  12 Si      5.97401000     3.98599000    
2.65401000
ATOM  13 Si       .66599000     2.65401000    
3.98599000
ATOM  14 Si      2.65401000     5.97401000    
3.98599000
ATOM  15 Si      3.98599000      .66599000    
2.65401000
ATOM  16 Si      7.30599000     7.30599000     
.66599000
ATOM  17 Si     7.30599000     5.97401000    
2.65401000
ATOM  18 Si      3.98599000     5.97401000     
.66599000
ATOM  19 Si      7.30599000      .66599000    
7.30599000
ATOM  20 Si      5.97401000      .66599000    
3.98599000
ATOM  21 Si      5.97401000     2.65401000    
7.30599000
ATOM  22 Si      7.30599000     2.65401000    
3.98599000
ATOM  23 Si       .66599000     7.30599000    
7.30599000
ATOM  24 Si      2.65401000     7.30599000    
5.97401000
ATOM  25 Si      .66599000     3.98599000     
5.97401000
ATOM  26 Si     3.98599000     7.30599000     
2.65401000
ATOM  27 Si     2.65401000     3.98599000     
7.30599000
ATOM  28 Si     7.30599000     7.30599000     
7.30599000
ATOM  29 Si     5.97401000     5.97401000     
5.97401000
ATOM  30 Si     5.97401000     7.30599000     
3.98599000
ATOM  31 Si     3.98599000     5.97401000     
7.30599000
ATOM  32 Si     7.30599000     3.98599000     
5.97401000
i need simulation for this at a temp of 300 k
how to solve the above warning


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