Dear amber users:
I am trying to run a mm_pbsa on an energy minimized structure. After energy minimization calculation, I took the structure from .rst file. However, mm_pbsa can't generate a reasonable result. Some of the energy terms in output file are marked with "nan". I don't know what happed. My question is if I can get structure from a .rst file? by the way, mm_pbsa is working when I used a set of coordinates from MD trajectory.
Thanks
Xuelin
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Wed Oct 04 2006 - 06:07:13 PDT
