VMD-L Mailing List

From: Justin Gullingsrud (justinrocks_at_gmail.com)
Date: Sun Nov 20 2005 - 15:12:11 CST

Hi,

Add the following 'first' and 'last' to your segment statements:

segment A {
  first NONE
  last NONE
  pdb ....
}

Cheers,
Justin

On 11/18/05, hodak_at_chips.ncsu.edu <hodak_at_chips.ncsu.edu> wrote:
> I am trying to create psf of a protein that has uncharged terminal ends
> (i.e. NH2 and COOH instead of NH3+ and COO-), but psfgen always generates
> charged ends.
>
> Is there any way to get psfgen to generate system with neutral terminal
> ends?
>
> Help greatly appreciated.
>
> Miro
> 

--
Studying texts and stiff meditation can make you lose your Original Mind.
A solitary tune by a fisherman, though, can be an invaluable treasure.
Dusk rain on the river, the moon peeking in and out of the clouds;
Elegant beyond words, he chants his songs night after night.
                -- Ikkyu, "The Fisherman"