Thanks Ross
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 - 15:30:03 PDT
