Date: Sun, 2 Jul 2017 18:02:01 -0400
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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> >>>
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> >>>
> >>
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