On Thu, Apr 28, 2016, Anna Cebrian Prats wrote:
>
> 2) Creating new UNIT for residue: HEM sequence: 553
As far as I can see, you haven't loaded any library that contains a HEM
residue. You can get one (at least to get started) from the contributed
parameters database, or try other suggestions. (I'm not sure what is in
acd.in, but it is sure not a HEM residue.
>
> Why appears all this problems if I enter the prep and parm files?? I
> know that .mol2 file is not correct , but if i change it to .prep or
> .in, the Fe atom disappears.
If you have a mol2 file for a HEM, use the loadMol2 command in LEaP to load
it. I don't know what you really doing when you say "I change it .prep
or .in".
....dac
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Received on Thu Apr 28 2016 - 10:30:05 PDT
