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.
>> > > >
>> > > > _______________________________________________
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Received on Tue Oct 24 2017 - 21:00:03 PDT
