AMBER Archive (2006)

Subject: AMBER: DRMS setting for Nmode calculation

From: Shuting Wei (gtg549i_at_mail.gatech.edu)
Date: Thu Dec 07 2006 - 14:46:54 CST

Dear All,

When i tried to use mm_pbsa for the binding energy calculation, i
have no idea about the DRMS value.

In the amber9/src/mm_pbsa/Examples/mm_pbsa.in, DRMS = 0.0001, although NM=0

In the amber9/src/mm_pbsa/Examples/04_MMPBSA_Nmode/mm_pbsa.in, DRMS =
0.1, this time NM=1

Which value should i use?

Thanks!

Shuting

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