Hello, I am trying to analyze DNA from a trajectory produced using CHARMM
(forcefield as well as program). However, I receive the following error:
Error: Ref Atom [C7 ] not found in NA base [THY ]
This is due to the fact that C7 in the Amber force field is C5M in the
charmm force field.
How can I fix this? I tried playing around with resmap, but this was
unsuccessful.
My script is
###
parm dcd/dna.psf
trajin dcd/merged-dna.dcd dcd
nastruct naout na.dat resrange :3-33
###
Thanks
Geoffrey
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Jun 04 2014 - 09:00:02 PDT
