Try searching in the leap.log file for examples.
On 7/11/17 9:38 PM, Rana Rehan Khalid wrote:
> I have to add sp0 atomtype with hybridization type directly into the
> leaprc file. searching an example
>
> On Wed, Jul 12, 2017 at 12:23 AM, Hai Nguyen <nhai.qn.gmail.com> wrote:
>
>> have you google yet? ;)
>>
>> Hai
>>
>> On Tue, Jul 11, 2017 at 11:36 PM, Rana Rehan Khalid <rrkhalid.umich.edu>
>> wrote:
>>
>>> yes i read, Is there any example for add atomtype command? as tutorial
>>> mention for add command
>>>
>>> thanks
>>>
>>> On Tue, Jul 11, 2017 at 10:25 PM, Hai Nguyen <nhai.qn.gmail.com> wrote:
>>>
>>>> Search for that keyword here: http://ambermd.org/doc12/Amber17.pdf
>>>>
>>>> Hai
>>>>
>>>> On Tue, Jul 11, 2017 at 10:20 PM, Rana Rehan Khalid <
>> rrkhalid.umich.edu>
>>>> wrote:
>>>>
>>>>> I have my own frcmod and prep.in file that contain Isymbol(atom
>> type)
>>>> that
>>>>> are not in leaprc file when i load my pdb file it shows add atomtype
>>>>> """which needs to be added via addAtomTypes""" . is there anyone tell
>>> me
>>>>> how we can add atom type in the leaprc
>>>>>
>>>>> Kind Regards
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Received on Tue Jul 11 2017 - 22:00:03 PDT
