Best to use tleap, so you can copy/paste what you are seeing. In xleap,
you can also try 'edit SIN' to see what is there.
The next step might be to copy/paste the input file here.
Bill
On 7/2/17 3:21 PM, Rana Rehan Khalid wrote:
> but desc SIN does not show the residue as the residues load in the image
> this command only show head atom and tail atom
>
> On Sun, Jul 2, 2017 at 6:05 PM, Bill Ross <ross.cgl.ucsf.edu> wrote:
>
>> > I follow this tutorial but when i try to load sin in my leap it only
>> show sin as in this image show.
>>
>> That is correct. 'desc SIN' in xleap to see more info.
>>
>> > and can you explain about intact one
>>
>> You sent a file with missing atoms. It is up to you to get a file that
>> works.
>>
>> Bill
>>
>> On 7/2/17 3:02 PM, Rana Rehan Khalid wrote:
>>> I follow this tutorial but when i try to load sin in my leap it only show
>>> sin as in this image show.
>>> and can you explain about intact one dear
>>>
>>> On Sun, Jul 2, 2017 at 5:42 PM, Bill Ross <ross.cgl.ucsf.edu> wrote:
>>>
>>>> Best to copy/paste the contents of .in-type files.
>>>>
>>>> I would ask the person who sent the file if they can send an intact one.
>>>>
>>>> For sin.prepin, 'desc SIN' in leap to see what was loaded.
>>>>
>>>> Bill
>>>>
>>>>
>>>> On 7/2/17 2:23 PM, Rana Rehan Khalid wrote:
>>>>> i read the paper who working on similar protein that consis of heme
>>>> -----02
>>>>> then i contact to that person he send me this
>>>>>
>>>>> On Sun, Jul 2, 2017 at 5:20 PM, Rana Rehan Khalid <rrkhalid.umich.edu>
>>>>> wrote:
>>>>>
>>>>>> Ross i am trying to load the prepin file in xleap i choose the file
>>>> from
>>>>>> leap tutorial sin.prepin
>>>>>>
>>>>>> loadamberprep sin.prepin
>>>>>> it give
>>>>>> loading ./sin.prepin
>>>>>> then i
>>>>>> list
>>>>>> it only show
>>>>>> SIN
>>>>>> no other content of file load is it the problem of xleap?? that it not
>>>>>> loading the file
>>>>>>
>>>>>>
>>>>>> On Sun, Jul 2, 2017 at 4:55 PM, Bill Ross <ross.cgl.ucsf.edu> wrote:
>>>>>>
>>>>>>> Use an atom name from the atom names in your molecule. Evidently 'FE'
>>>>>>> isn't among them.
>>>>>>>
>>>>>>> Bill
>>>>>>>
>>>>>>>
>>>>>>> On 7/2/17 1:53 PM, Rana Rehan Khalid wrote:
>>>>>>>> hello everyone i have prep file for heme when i try to produce the
>>>>>>> parm
>>>>>>>> file from heme prep file with this command
>>>>>>>>
>>>>>>>> parmchk -i argn.in -f prepi -o sin.frcmod
>>>>>>>>
>>>>>>>> this error come
>>>>>>>>
>>>>>>>> FE in the LOOP section is not a valid atom name
>>>>>>>>
>>>>>>>> kindly guide what can i do. thanks
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Received on Sun Jul 02 2017 - 15:30:04 PDT
