Thank you so much Ross it works
Regards
On Wed, Jul 12, 2017 at 12:52 AM, Bill Ross <ross.cgl.ucsf.edu> wrote:
> Try searching in the leap.log file for examples.
>
>
> On 7/11/17 9:38 PM, Rana Rehan Khalid wrote:
> > I have to add sp0 atomtype with hybridization type directly into the
> > leaprc file. searching an example
> >
> > On Wed, Jul 12, 2017 at 12:23 AM, Hai Nguyen <nhai.qn.gmail.com> wrote:
> >
> >> have you google yet? ;)
> >>
> >> Hai
> >>
> >> On Tue, Jul 11, 2017 at 11:36 PM, Rana Rehan Khalid <rrkhalid.umich.edu
> >
> >> wrote:
> >>
> >>> yes i read, Is there any example for add atomtype command? as tutorial
> >>> mention for add command
> >>>
> >>> thanks
> >>>
> >>> On Tue, Jul 11, 2017 at 10:25 PM, Hai Nguyen <nhai.qn.gmail.com>
> wrote:
> >>>
> >>>> Search for that keyword here: http://ambermd.org/doc12/Amber17.pdf
> >>>>
> >>>> Hai
> >>>>
> >>>> On Tue, Jul 11, 2017 at 10:20 PM, Rana Rehan Khalid <
> >> rrkhalid.umich.edu>
> >>>> wrote:
> >>>>
> >>>>> I have my own frcmod and prep.in file that contain Isymbol(atom
> >> type)
> >>>> that
> >>>>> are not in leaprc file when i load my pdb file it shows add atomtype
> >>>>> """which needs to be added via addAtomTypes""" . is there anyone tell
> >>> me
> >>>>> how we can add atom type in the leaprc
> >>>>>
> >>>>> Kind Regards
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Received on Tue Jul 11 2017 - 22:30:03 PDT
