In your full tleap output it seems like you are only loading params
for your custom residue. You need to also load parameters for all the
other residues present in your molecule (using something like 'source
leaprc.ff99SB), which should be done just prior to loading in your
custom parameters.
On Mon, Jul 5, 2010 at 11:57 AM, Chris Whittleston <csw34.cam.ac.uk> wrote:
> START OF FULL tleap OUTPUT:
>
> --------------------------------------------------------------------------------------------------
>
>>
>> loadoff Siaa_6Galb_4GlNb.lib
> Loading library: ./Siaa_6Galb_4GlNb.lib
> Loading: LIG
>> COMPLEX=loadpdb original.pdb
> Loading PDB file: ./original.pdb
--
-------------------------
Daniel R. Roe
Postdoctoral Associate
SAS - Chemistry & Chemical Biology
610 Taylor Road
Piscataway, NJ 08854
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Jul 05 2010 - 11:00:04 PDT
