[gmx-users] *.gro output file being written to inverse

[Luciano Costa]

Hi gmx'users,

I runnning MD simulation that the *.gro output file was written to inverse,
for instance:

The *.gro file was;

molecule
8
1MOL1 ...
1MOL1 ...
1MOL1 ...
1MOL1 ...
2MOL2 ...
2MOL2 ...
2MOL2 ...
2MOL2 ...

so after MD simulation the *.gro file was modified, for example:


molecule
8
1MOL2 ...
1MOL2 ...
1MOL2 ...
1MOL2 ...
2MOL1 ...
2MOL1 ...
2MOL1 ...
2MOL1 ...

Why do this occur in gro output file? would it will be that *.xtc and *.trr
also was written as *.gro file? How can I to correct it? What do I do,
please?

Thanks!

regards,

Luciano Tavares

-- 
###      Luciano Tavares da Costa      ###
Laboratory of Molecular Spectroscopy
## IQ - University of Sao Paulo - Brazil ##
  http://lem.iq.usp.br;ltcnikit@gmail.com  ##################################
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