Dear Dr. Cheatham III,
all residues are in upper case. Only the lib name is lower case (cym.lib)
However, i tried to rename them, i.e cym.lib -> CYM.lib, but the same errors
came.
Could you please help me again?
Thank you very much.
Chinh
On Tue, May 10, 2011 at 1:27 AM, Thomas Cheatham III <tec3.utah.edu> wrote:
>
> > I created some new lib, loaded them before loading the molecule, but I
> still
> > got FATAL errors of unrecognized atome types.
> >
> > *> loadoff hiz.lib
> > Loading library: ./hiz.lib
> > Loading: hiz
>
> I think you want the residue/unit name to be HIZ not hiz, i.e. all the
> residue names to be all capitals as LEaP distinguishes case. I would edit
> the libraries to put the lower case to upper case for hiz, cym, hio, hia,
> ...
>
>
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Received on Mon May 09 2011 - 21:00:02 PDT
