Dear AMBER Users
I am trying to run LeaP for a metalloprotein. Cobalt 2+ is the metal
involved. Here is the input of my leap.in file:
source leaprc.ff99SB
source leaprc.gaff
loadoff atomic_ions.lib
#i know I should add a frcmod file here with vdW parameters for Co
ACHE = loadpdb cda_co.pdb
savepdb ACHE cda_co_out.pdb
saveAmberParm ACHE cda_co.top cda_co.crd
quit
The error that I am getting is
Building topology.
Building atom parameters.
For atom: .R<CO 230>.A<CO 1> Could not find vdW (or other) parameters for
type: Co2+
Parameter file was not saved.
Quit
I use AMBER12.
How do I go about solving it?
Not able to locate vdW parameters for Co2+ anywhere. Can someone please
share?
Thanks
Suchetana
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Received on Mon Jun 08 2015 - 05:30:03 PDT
