From: Jindal Shah (jindal.shah_at_gmail.com)
Date: Wed Aug 30 2006 - 15:04:16 CDT
Hello NAMD users,
Everything worked out OK. The calculations now agree with what namd2
reports.
Thanks,
Jindal
> >>
> >> On Wed, 30 Aug 2006, Jindal Shah wrote:
> >>
> >> > Hello,
> >> >
> >> > I was wondering if there is a way to print out the atom types and
> >> > corresponding
> >> > R_min, eps parameters used by NAMD.
> >> >
> >> > This is in regards to pair interaction energies I am calculating.
> >> >
> >> > When I use pairInteraction energy with NAMD, the energies I get for
> >> > N of proline with carbonyl oxygen of the same proline is twice what
> it
> >> > should be.
> >> > The exclusion scheme is 1-3.
> >> >
> >> > Thank you very much.
> >> >
> >> > Jindal
> >> >
> >>
> >
>
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