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 - 22:00:03 PDT
