Hi! You should load a pdb in the unit "protein" using: protein = loadpdb
peptide.pdb
Regards!
Gera!
El lun., 3 jun. 2019 a las 11:25, Sadaf Rani (<sadafrani6.gmail.com>)
escribió:
> 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
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Jun 03 2019 - 09:00:02 PDT
