Re: [AMBER] Forecefield error

From: Hai Nguyen <nhai.qn.gmail.com>
Date: Tue, 24 Oct 2017 23:20:26 -0400

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.
>
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> 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.ff​99​SB​"​ ​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.
> > >
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> > >
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Received on Tue Oct 24 2017 - 20:30:05 PDT
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