On Wed, Sep 21, 2011, Guenegou, Guillaume [JRDFR] wrote:
>
> Basically, I load a protein and a ligand in sleap, I add a solvatebox
> and I save topology and coordinate files.
>
> Usually, I do this with TIP3P BOX and I tried to use TIP4P BOX.
> With ff03 and ff02pol force fields, I got the following error with
> saveamberparm command : "Error: unknown atom type: EP"
It's not clear what commands you used. It sounds like maybe you left out
the "loadAmberParams frcmod.ti4pew" (comes after loading leaprc.ff03). See
Section 2.11 of the AmberTools Users' Manual.
If this is the not the problem, we would need more details about exactly what
you did. Is sleap working different than tleap?
...thx...dac
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Received on Wed Sep 21 2011 - 07:00:02 PDT
