You email title:
> [AMBER] addAtomType
Your question:
> is there anyone tell me how we can add atom type in the leaprc
Your real problem:
> I have to add sp0 atomtype with hybridization type directly into the
> leaprc file. searching an example
In my experience, correctly specifying your problem in your email
title and in question
will help (you) to get more details and helpful reply.
cheers
Hai
On Wed, Jul 12, 2017 at 12:38 AM, Rana Rehan Khalid <rrkhalid.umich.edu> 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 - 22:00:04 PDT
