> 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 - 15:30:03 PDT
