Re: [AMBER] error

From: Bill Ross <ross.cgl.ucsf.edu>
Date: Tue, 11 Jul 2017 14:36:01 -0700

The program is written to give you advice when there is a problem.

The message you seem to not read is telling you to use addAtomTypes.

Please try to read all the output carefully for understanding. It was
written with you in mind.

Bill


On 7/11/17 2:30 PM, Rana Rehan Khalid wrote:
> No advice in this thread. I check it maybe it is in my previous threads.
> Thanks
>
> On Tue, Jul 11, 2017 at 5:24 PM, Bill Ross <ross.cgl.ucsf.edu> wrote:
>
>> The advice I quoted from your output:
>>
>> +--- Sp0 probably means a new atom type is involved
>> +--- which needs to be added via addAtomTypes
>>
>> On 7/11/17 2:23 PM, Rana Rehan Khalid wrote:
>>> Which one advice Sir
>>>
>>> On Tue, Jul 11, 2017 at 5:20 PM, Bill Ross <ross.cgl.ucsf.edu> wrote:
>>>
>>>> Did you follow that advice?
>>>>
>>>> Bill
>>>>
>>>>
>>>> On 7/11/17 2:05 PM, Rana Rehan Khalid wrote:
>>>>> +--- Sp0 probably means a new atom type is involved
>>>>> +--- which needs to be added via addAtomTypes
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>>>>
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Received on Tue Jul 11 2017 - 15:00:03 PDT
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