Re: ptraj distanse question

From: Lepsa <lepsik_at_marilyn.uochb.cas.cz>
Date: Fri 31 Jan 2003 13:16:25 +0100

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
>
>
>
Received on Fri Jan 31 2003 - 04:16:25 PST
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