yes, you should use ff14SB over ff99SB, and you also might want to update
to Amber 17.
On Tue, Oct 24, 2017 at 11:30 PM, Arthi Venkat <arthivenkat2.gmail.com>
wrote:
> I am using amber 14 with amber15tools.
> Amber 14 manual. It is available in page number 30.
> So shall i proceed with 14SB forcefield.
>
>
>
>
>
>
>
>
>
>
>
>
> Regards,
>
> Arthi Venkatesan
> Assistant Professor Junior,
> Department of Integrative Biology,
> SBST, VIT University, Vellore - 632014,
> TamilNadu, India.
>
> On Wed, Oct 25, 2017 at 8:59 AM, Arthi Venkat <arthivenkat2.gmail.com>
> wrote:
>
> > I am using amber 14 with amber15tools.
> > Amber 14 manual. It is available in page number 30.
> > So shall i proceed with 14SB forcefield.
> >
> >
> >
> >
> >
> >
> >
> >
> >
> >
> >
> >
> > Regards,
> >
> > Arthi Venkatesan
> > Assistant Professor Junior,
> > Department of Integrative Biology,
> > SBST, VIT University, Vellore - 632014,
> > TamilNadu, India.
> >
> > On Wed, Oct 25, 2017 at 8:50 AM, Hai Nguyen <nhai.qn.gmail.com> wrote:
> >
> >> it's deprecated in the favor of 14SB. Which manual you're talking about
> >> and
> >> which page number?
> >> Hopefully you're reading amber 17 manual. If that the case, I think 14SB
> >> developers need to update that.
> >>
> >> Hai
> >>
> >> On Tue, Oct 24, 2017 at 11:16 PM, Arthi Venkat <arthivenkat2.gmail.com>
> >> wrote:
> >>
> >> > Recently I have installed amber, In the manual they have mentioned
> >> "ff99SB"
> >> > forcefield for protein. And why i cant able to use other forcefields.
> Is
> >> > that forcefields are not installed properly.
> >> >
> >> >
> >> >
> >> >
> >> >
> >> >
> >> >
> >> >
> >> >
> >> >
> >> >
> >> >
> >> > Regards,
> >> >
> >> > Arthi Venkatesan
> >> > Assistant Professor Junior,
> >> > Department of Integrative Biology,
> >> > SBST, VIT University, Vellore - 632014,
> >> > TamilNadu, India.
> >> >
> >> > On Wed, Oct 25, 2017 at 8:39 AM, Hai Nguyen <nhai.qn.gmail.com>
> wrote:
> >> >
> >> > > On Tue, Oct 24, 2017 at 11:05 PM, Arthi Venkat <
> >> arthivenkat2.gmail.com>
> >> > > wrote:
> >> > >
> >> > > > Hi,
> >> > > >
> >> > > >
> >> > > >
> >> > > >
> >> > > > *"source leaprc.ff99SB" is not working, I can able to use
> >> only
> >> > > this
> >> > > > forcefield "source leaprc.ff14SB". Can anyone tell me how to solve
> >> this
> >> > > > issue. *
> >> > > >
> >> > >
> >> > > try with "source oldff/leaprc.ff99SB"
> >> > >
> >> > > by the way, if you don't have very strong reason to use 99SB, I
> >> recommend
> >> > > to use 14SB.
> >> > >
> >> > > Hai
> >> > >
> >> > >
> >> > > >
> >> > > > *> source leaprc.ff99SBCould not open file leaprc.ff99SB: not
> >> found*
> >> > > >
> >> > > >
> >> > > >
> >> > > >
> >> > > >
> >> > > > Regards,
> >> > > >
> >> > > > Arthi Venkatesan
> >> > > > Assistant Professor Junior,
> >> > > > Department of Integrative Biology,
> >> > > > SBST, VIT University, Vellore - 632014,
> >> > > > TamilNadu, India.
> >> > > >
> >> > > > _______________________________________________
> >> > > > AMBER mailing list
> >> > > > AMBER.ambermd.org
> >> > > > http://lists.ambermd.org/mailman/listinfo/amber
> >> > > >
> >> > > >
> >> > > _______________________________________________
> >> > > AMBER mailing list
> >> > > AMBER.ambermd.org
> >> > > http://lists.ambermd.org/mailman/listinfo/amber
> >> > >
> >> > _______________________________________________
> >> > AMBER mailing list
> >> > AMBER.ambermd.org
> >> > http://lists.ambermd.org/mailman/listinfo/amber
> >> >
> >> _______________________________________________
> >> AMBER mailing list
> >> AMBER.ambermd.org
> >> http://lists.ambermd.org/mailman/listinfo/amber
> >>
> >
> >
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Oct 25 2017 - 04:00:03 PDT
