AMBER: restraintmask

From: Joseph Fernandez <joefern9999.yahoo.com>
Date: Thu, 4 May 2006 11:22:21 -0700 (PDT)

I would like to restrain a residue using ntr.
However, I would only like to restrain the heavy atoms
(without the hydrogen atoms). WHen I use the
following syntax:

restraintmask=':256~.H'

I get an error that ~ is an invalid symbol. When I
use the following:

restraintmask=':256.N*,C*,O*'

I also get an error message that * is an invalid
symbol.


Any help on this matter would be greatly appreciated.

Joe

__________________________________________________
Do You Yahoo!?
Tired of spam? Yahoo! Mail has the best spam protection around
http://mail.yahoo.com
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Fri May 05 2006 - 08:13:56 PDT
Custom Search