AMBER Archive (2006)

Subject: AMBER: Bond Force Conctants in Amber Force Fields

From: .. (egorov_at_newhospital.ru)
Date: Thu Jun 01 2006 - 00:22:01 CDT


Dear Amber list members,

How are force bond force constants k natural, i. e. are they exactly equal spectroscopic harmonic force constants for parametrized compounds. And if they are not, then could anybody tell me where can I obtain these spectroscopic quantities for biological substanses - may be, somewhere is compiled source of these data?

D. Egorov, USMA, Yekaterinburg, Russia.

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu