Hello Charles, Thank you for your earlier reply. I am sending over my working files now. I would have done so sooner, but I was hoping to obtain more experimental data from the group. Would you still be willing to look over my script? Also, after using PREDITOR to obtain, phi,psi,chi, and omega angle restraints, I catenated these files together for use as torsion angle restraints. I now receive an error message while running the simulation:
%CSTRAN-ERR: selection has to contain exactly one atom. I haven't been able to find this error referenced on the internet, what does it mean? -------------- next part -------------- An HTML attachment was scrubbed... URL: http://dcb.cit.nih.gov/pipermail/xplor-nih/attachments/20090805/51f517b6/attachment.html
