('binary' encoding is not supported, stored as-is)
Hello,
Now it works perfect!
Thank you for your help.
Bo
==============Original message text===============
On Tue, 28 Sep 2004 19:37:25 GMT "Thomas E. Cheatham, III" wrote:
> PTRAJ: distance out model1-3-md1-dist1.dist time 0.1 :84.ND2 :197.O
> WARNING: Error in mask string, no "." or ":" present
(model1-3-md1-dist1.dist)
I forgot to mention that you need to give every distinct distance, bond,
angle, or dihedral command a unique identifier; this allows the results to
be saved and analyzed later... So the command should be
distance d1 out model1-3-md1-dist1.dist time 0.1 :84.ND2 :197.O
As originally written, "out" is assumed to be the unique identifier (and
stripped from the command line) so that "model1" becomes the first mask
and therefore fails... So, insert a name like "d1" right after the
distance keyword.
Good luck.
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Tue Sep 28 2004 - 22:53:00 PDT
