Dear AMBER users
I am trying to build a protein ligand system in tleap
I am doing following:-
source leaprc.protein.ff14SB
source leaprc.gaff2
source leaprc.water.tip3p
ligA = loadmol2 NAP_amber.mol2
ligA = loadmol2 BG6_amber.mol2
loadamberparams NAP_amber.frcmod
loadamberparams BG6_amber.frcmod
protein = peptide.pdb
complex = combine {protein ligA ligB}
it gives me following error:
combine: protein is type String
expected UNIT
I did list in tleap and it shows protein
how to correct it where I am wrong
please tell me
Thank you
Sadaf
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Received on Mon Jun 03 2019 - 07:30:02 PDT
