> When I use "CYX" to describle CYS-CYS pair in my
> research project, the S-S bond always was broken even
> in my gradually equilibrium process. The distance
Have you added a bond between the CYX pairs using the bond command in
LEaP? The programs are not smart enough to automatically infer what
CYS-CYS bonds are present; it is your responsibility to make sure it is
set. If you have added a bond and it is deviated, this is most
unexpected...
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Mon Jul 26 2004 - 04:53:01 PDT
