[gmx-users] gromacs

He, Yang yang.he at mavs.uta.edu
Tue Oct 14 20:47:38 CEST 2008


Hi all users,

I juse encountered a problem when I run the code about the course grain for DNA,

it shows like this

creating statusfile for 1 node...

Back Off! I just backed up mdout.mdp to ./#mdout.mdp.1#
checking input for internal consistency...
calling cpp...
In file included from ffyxh.itp:8,
                 from hust.top:11:
ffyxhnb.itp:25:61: warning: no newline at end of file
In file included from ffyxh.itp:9,
                 from hust.top:11:
ffyxhbon.itp:26:5: warning: no newline at end of file
In file included from hust.top:65:
ffyxh.atp:6:34: warning: no newline at end of file
hust.top:76:17: warning: no newline at end of file
processing topology...
Generated 32 of the 36 non-bonded parameter combinations
-------------------------------------------------------
Program grompp, VERSION 3.3.1
Source code file: toputil.c, line: 61

Fatal error:
Atomtype 'OW' not found!


I have tried to solve that , but it did not still work . So anyone of you can tell me how to solve that.

Thank you in advance.

Yang



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