[gmx-users] plus and minus signs in rtp files

[Mark Abraham]

... which is covered in chapter 5 of the manual (hint, hint)

Mark

On Mon, Nov 2, 2015 at 1:16 PM Justin Lemkul <jalemkul at vt.edu> wrote:

>
>
> On 11/2/15 7:04 AM, Joan Clark Nicolas wrote:
> > Dear gmx users,
> > I am triying to add a new residue to the aminoacids.rtp file and I found
> > some plus and minus signs that I don't know what to do with. For example,
> > for the ASP, we have these:
> >
> > [ bonds ]
> > (...)
> >      -C     N
> > (...)
> > [ impropers ]
> >      -C    CA     N     H
> >      CA    +N     C     O
> >
> > Can you tell me what this signs mean and what rules I have to follow to
> put
> > them?
> >
>
> Previous (-) and next (+) residue.
>
> -Justin
>
> --
> ==================================================
>
> Justin A. Lemkul, Ph.D.
> Ruth L. Kirschstein NRSA Postdoctoral Fellow
>
> Department of Pharmaceutical Sciences
> School of Pharmacy
> Health Sciences Facility II, Room 629
> University of Maryland, Baltimore
> 20 Penn St.
> Baltimore, MD 21201
>
> jalemkul at outerbanks.umaryland.edu | (410) 706-7441
> http://mackerell.umaryland.edu/~jalemkul
>
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