AMBER Archive (2003)

Subject: Re: ptraj distanse question

From: Lepsa (lepsik_at_marilyn.uochb.cas.cz)
Date: Fri Jan 31 2003 - 06:16:25 CST

Dear Sichun,
with ":" you selected residues not atoms! You should use "@" and atom
number.

Hope this helps.

All the best,

  Martin
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----
Martin Lepsik, PhD student            Phone:  +420/2/20183-540, Fax:
+420/2/20183-292
Dept. of Theor Chem & Center for Complex molecular Systems and Biomolecules
Institute of Organic Chemistry and Biochemistry (IOCB)
Flemingovo nam 2,
Czech Academy of Sciences,
166 10, Prague 6,
Czech Rep.
URL: www.uochb.cas.cz/~teochem
----- Original Message -----

> Dear All,
>
> I use the ptraj to the distance  for two atoms by
> distance dis  :1392  :1394 out out3
> the result is
>   8.806740
>
> But the calculation done by hand is 1.37.
> Any suggestion? Thanks!
>
> Sichun
>
>
>