> On Jun 3, 2019, at 11:54 AM, Gerardo Zerbetto De Palma <g.zerbetto.gmail.com> wrote:
>
> 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
>> _______________________________________________
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>> AMBER.ambermd.org
>> http://lists.ambermd.org/mailman/listinfo/amber
>>
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Received on Mon Jun 03 2019 - 09:30:04 PDT
