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
-------------------------------------------------------
IIRC, there was some issue with an early GROMACS 4.0.x and TIP4P. Search
the archives for more information. To solve, I suggest you update.
Mark
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