Hi,
You could try the 'writeFrcmod' and 'writeOFF' commands in parmed to
generate parameter/library files which you can then read into LEaP.
However, I have not attempted to do something like this so you way
want to check your results carefully.
-Dan
On Mon, Mar 4, 2019 at 3:44 PM Hadi Rahmaninejad <ha.rahmaani.gmail.com> wrote:
>
> Hi,
>
> That is not giving the forcfield file, it is just giving topology and
> coordinates files in amber. However I need to have forcefield file
> (.frcmod) and library file (.lib or .prep). The reason is that I am going
> to change my structure and then prepare top and crd files in tleap. Do you
> know any way for that?
>
>
>
> On Mon, Mar 4, 2019 at 2:36 PM Daniel Roe <daniel.r.roe.gmail.com> wrote:
>
> > Hi,
> >
> > You'll need to use the 'chamber' command in parmed. See the manual for
> > full details. You'll need charmm parameter and RTF files as well.
> >
> > -Dan
> >
> > On Mon, Mar 4, 2019 at 12:23 PM Hadi Rahmaninejad <ha.rahmaani.gmail.com>
> > wrote:
> > >
> > > Hello Amber Users,
> > >
> > > I am working on silica lattice simulation. For some reason, I need to
> > work
> > > on amber, which does not support Si atoms. However, I have the CHARMM
> > > forcefield and psf/pdb files. Is there any way I can convert them to
> > amber
> > > forcefield and prepi file in order to do the simulation in AMBER?
> > >
> > > Thank you,
> > > Hadi
> > > _______________________________________________
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> >
> > _______________________________________________
> > AMBER mailing list
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> >
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Received on Tue Mar 05 2019 - 06:30:03 PST
