[gmx-users] Re: gmx-users Digest, Vol 59, Issue 1

Mark Abraham Mark.Abraham at anu.edu.au
Sun Mar 1 08:15:12 CET 2009

drugdesign wrote:
> Mark, thank you very much for the answer. I can't find this issue in the archives. If it's not difficult to you, won't you be so kind to send the link on it.

Hmm, I've had a look in the archives for gmx-users and gmx-developers 
and I can't see what my memory was telling me. Sorry about that.

>> drugdesign wrote:
>>> I am trying to use amber03 force field for GROMACS with TIP4P water molecules. But I've got an error about OWT4 atom type.
>>> The strange is that with TIP3P and TIP5P it works ok. Some time ago it worked ok with TIP4P too...maybe I've changed sometheing but now I get  the log listed below...
>>> How is that possible?
>>> -------------------------------------------------------
>>> Program grompp, VERSION 4.0.2
>>> Source code file: toppush.c, line: 897
>>> Fatal error:
>>> Atomtype OWT4 not found
>>> -------------------------------------------------------

You will need to look at your .top file, follow the #include directives 
and see what is going wrong. See 
http://wiki.gromacs.org/index.php/include_file_mechanism for basic info.


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