Dear Amber users!
I am trying to parametrize the protein containing 3 gold ions defined as AU
in the pdb structure, using the following parameters.
source leaprc.protein.ff14SB
source leaprc.water.tip3p
#source leaprc.DNA.OL15
#source leaprc.RNA.OL3
#source leaprc.gaff2 # optimonally for ligand
This is the error which I get from tleap.
FATAL: Atom .R<AU 589>.A<AU 1> does not have a type.
FATAL: Atom .R<AU 590>.A<AU 1> does not have a type.
FATAL: Atom .R<AU 591>.A<AU 1> does not have a type.
How the gold be parametrized ??
Many thanks in advance !
Enrico
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Nov 21 2024 - 03:30:02 PST
