On Thu, Jul 1, 2010 at 1:11 PM, jane <jane.chen.1016.gmail.com> wrote:
> Hi Bill, do I need to add the pdb file name of the protein with 19 H+ in
> the command "addions my_mol Cl- 0"?
>
> Thanks,
>
> Xiuping
>
>
> On Thu, Jul 1, 2010 at 12:40 PM, Bill Ross <ross.cgl.ucsf.edu> wrote:
>
>> > Does anyone know the command for adding counterions (Cl-) to a single
>> > protein that has been protonated by 19 H+?
>>
>> If there is an H+ molecule defined (not sure if this is the case),
>> this cmd would add Cl- to neutralize:
>>
>> > addions my_mol Cl- 0
>>
>> If you are solvating with water, better to do that 1st.
>> If there is no H+ molecule template, you will have to make one;
>> see tutorials.
>>
>> Bill
>>
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>
>
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Received on Thu Jul 01 2010 - 11:30:03 PDT
