Re: fatal error regarding parameters

From: Adupa Vasista (adupavasista_at_gmail.com)
Date: Wed Dec 11 2019 - 01:51:15 CST

Use CGENFF to get parameters.

Thank You.

On Tue, Dec 10, 2019 at 11:45 PM mohammad goodarzi <mo.goodarzi82_at_gmail.com>
wrote:

> Adupa,
>
> Yes the attached molecule is there too, can you please tell me how to make
> the parameter for it?
>
> Thanks a lot
>
> On Tue, Dec 10, 2019 at 11:28 AM Adupa Vasista <adupavasista_at_gmail.com>
> wrote:
>
>> Are there any other molecules other than protein? If so, then you have to
>> add the parameters for that molecule too.
>>
>> and while using CHARMM36, better add carb.prm separately instead of
>> lipid_prot_carb.prm
>>
>> On Tue, Dec 10, 2019 at 10:36 PM mohammad goodarzi <
>> mo.goodarzi82_at_gmail.com> wrote:
>>
>>> Hello,
>>>
>>> I have read a number of posts but none answered me this question.
>>> I am getting error as
>>>
>>> ------------- Processor 0 Exiting: Called CmiAbort ------------
>>>
>>> Reason: FATAL ERROR: DIDN'T FIND vdW PARAMETER FOR ATOM TYPE N287
>>>
>>>
>>> Charm++ fatal error:
>>>
>>> FATAL ERROR: DIDN'T FIND vdW PARAMETER FOR ATOM TYPE N287
>>>
>>>
>>> Abort trap: 6
>>>
>>>
>>> and my parameters are
>>>
>>> # Force-Field Parameters
>>> paraTypeCharmm on
>>> parameters ./par_all36_lipid_prot_carb.prm
>>> parameters ./par_all36_lipid.prm
>>> parameters ./par_all36_prot.prm
>>> parameters ./par_all36_na.prm
>>>
>>>
>>> I just don't know what to add more, whatever I add or remove I get the
>>> same error
>>>
>>> Thanks
>>> Mo
>>>
>>
>>
>> --
>>
>> *A.VasistaM.Tech,Department Of Chemical Engineering,*
>> *IIT Guwahati.*
>>
>

-- 
*A.VasistaM.Tech,Department Of Chemical Engineering,*
*IIT Guwahati.*

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