Hello Everyone,
I am moving to use the ambertools version 14 but I am getting the following
error that it is not present when I use ambertools version 12.
I am using a THR (OLT) that is bound to a glycam and It looks like the
library is not completely load because it cannot find the following atom
types.
This happened when ever I try to save the files using "saveamberparm". Any
help will be appreciate it.
Thanks
Error
For atom: .R<OLT 170>.A<CA 3> Could not find vdW (or other) parameters for
type: CX
For atom: .R<OLT 170>.A<CB 5> Could not find vdW (or other) parameters for
type: 3C
########################################
my tleap script is
source leaprc.ff03.r1
source leaprc.GLYCAM_06j-1
X = loadpdb Protein.pdb
set default PBRadii mbondi2
charge X
check X
saveamberparm X protein.top protein.crd
quit
################################################
--
Pedro
Saludos
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Received on Wed Jul 30 2014 - 17:00:02 PDT
