Hello friends,
I am contemplating using amber94 force field for simulations of cyclic
peptides. It is an implicit solvent simulation where solvent effects are
taken into consideration through GB-SASA models. Since the parameter files
mention about TIP3P water model, does it mean the parameters are not
optimized (hence not a good choice) for the implicit solvent model? If
that's the case, could anyone suggest an alternative within or (without)
Amber? Thanks for your time.
Regards,
Ramdas Pophale.
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Wed Sep 06 2006 - 06:07:19 PDT
