Dear amber users,
Following the generation of the prmtop and inpcrd files using leap i noticed, on reading of the leap.log, that there were 2 missing sp2 improper torsion angle parameters;
C*-CN-CB-CA
NA-CA-CN-CB
Do these relate to out-of-plane bending? When i examined my pdb file i found that these belonged to the lone tryptophan residue in my protein so i presume they relate to the ring itself. I am using the ff03 forcefield and was wondering if someone could provide me some assistance?
Kind Regards
Simon Whitehead
P.h.D student
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Tue Sep 13 2005 - 18:53:00 PDT