It was obvioulsy that, my bad...
I make tip4pwat=loadamberparams frcmod.tip4p
But, now I get the following error : "can't find parameter for tors
EP-OW-HW-HW" with ff03.r1 force field.
Did I forget something else?
GG
-----Original Message-----
From: David A Case [mailto:case.biomaps.rutgers.edu]
Sent: mercredi 21 septembre 2011 15:39
To: AMBER Mailing List
Subject: Re: [AMBER] Sleap and TIP4P BOX
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 - 07:30:03 PDT
