Dear Professor,
Thank you for providing the requested information. If you do not mind
would you give me an example of how to use the command.
Greeting,
Hector.
> On Wed, Sep 16, 2015 at 4:11 PM, Hector A. Baldoni <hbaldoni.unsl.edu.ar>
> wrote:
>
>> Dear Amber users,
>>
>> It Would be possible to use ParmEd to delete a single bond length its
>> bond
>> angles and dihedral parameters from a topology file representing a
>> covalently bonded Enzyme-substrate complex in order to generate its
>> Michaelis complex. If it’s possible how I must to proceed. Any clue
>> will
>> be wellcome.
>>
>
> ​The command you want is "deleteBond".
>
> HTH,
> Jason
>
> --
> Jason M. Swails
> BioMaPS,
> Rutgers University
> Postdoctoral Researcher
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>
--------------------------------------
Dr. Héctor A. Baldoni
Profesor Adjunto
Departamento de Química
Área de Química General e Inorgánica
Universidad Nacional de San Luis
Chacabuco 917 (D5700BWS)
San Luis - Argentina
hbaldoni at unsl dot edu dot ar
Tel.:+54-(0)266-4520300 ext. 6157
--------------------------------------
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Received on Thu Sep 17 2015 - 07:00:04 PDT
