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.
Mark
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