> MY QUESTION: Is there a practical difference between
> the use of .frcmod+.off files and the use of a prep
> input file to introduce novel nucleotide parameters to
> xleap? Both methods appear to be equivalent.
The only parameters in prepin are charges. The atom types
in prepin index the ff parameters in frcmod/parm.dat files.
prepin is mostly equivalent to .off which has additional
info such as 'connect' atoms and residue type (solvent etc.)
So you need a frcmod for novel bond/angle/torsion/improper/vdw/mass
parameters in any case.
Bill
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Tue Jun 07 2005 - 19:53:00 PDT
