Hello
You are looking at an advanced tutorial.
Please have a look at this one
http://ambermd.org/tutorials/basic/tutorial4b/index.html
I guess this is best suited for you.
On Monday, July 1, 2019, Sadaf Rani <sadafrani6.gmail.com> wrote:
> thank you Martis
> but what about RESP fitting as mentioend in this tutorial:
> http://ambermd.org/tutorials/advanced/tutorial1/section1.htm
>
>
> Looking forward to hear from you soon
>
> thank you
>
> Sadaf
>
> On Mon, Jul 1, 2019 at 12:21 PM Elvis Martis <elvis.martis.bcp.edu.in>
> wrote:
>
> > Next you must do this
> > parmchk2 -i bg6.in -f prepi -o bg6.frcmod
> >
> >
> > Best Regards
> >
> > Elvis Martis
> >
> >
> >
> > ________________________________
> > From: Sadaf Rani <sadafrani6.gmail.com>
> > Sent: 01 July 2019 16:09
> > To: AMBER Mailing List
> > Subject: [AMBER] RESP charge calculation
> >
> > Dear Amber users
> > I am trying to calculate RESP charges for my ligand by method as
> mentioned
> > in following link:-
> > http://signe.teokem.lu.se/~ulf/Methods/resp.html
> >
> > when I am using this command
> > antechamber -fi gout -fo prepi -c resp -i BG6.out -o bg6.in -rn BG6
> -pf y
> > (BG6 is the ligand here)
> > I get following files:
> > bg6.in, esout, qout and QOUT
> > what to do further is not very clear
> > Can any body suggest me?
> > thank you
> > Sadaf
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> >
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--
Best Regards
Elvis Martis
Mumbai.
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Received on Mon Jul 01 2019 - 08:30:02 PDT
