Thank you sir
for your information.I want to remove the peak at 0.98 of high 25 in the RDF
plot of :WAT. :WAT.H* .
May I have to change input namelist ?
or I have to change ptraj input for RDF.
By which way i can remove this?
thanking you
subrata
On Mon, Jan 10, 2011 at 6:56 PM, case <case.biomaps.rutgers.edu> wrote:
> On Mon, Jan 10, 2011, subrata paul wrote:
> >
> > I am simulating a system containing only water in amber 10
> > I made the system using following command..
> >
> > 1. xleap -s -f leaprc.GLYCAM_06
> > 2. x=copy SPC
> > 3. solvatebox x SPCBOX 12.0
> > 4. saveamberparm x x.prmtop x.inpcrd
> >
> > Is this correct way for making the system?????
>
> Sounds fine. (A single "?" is sufficient.)
>
> >
> > trajin xxxxx.mdcrd
> > radial OW_OH .1 10 :WAT.O :WAT.H*
> >
> > after ploting in xmgrace I got a sharp peak of hight 25 at .98.
> >
> > Is this peak for bonded Hydrogen atom ????
>
> Yes.
>
> ...dac
>
>
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Received on Mon Jan 10 2011 - 21:00:02 PST
