AMBER Archive (2006)

Subject: AMBER: SURFTEN in GB (mm_pbsa calculations)

From: Shuting Wei (
Date: Thu Aug 03 2006 - 14:18:10 CDT

Hello, all

I am tring to calculate the GB energy with mm_pbsa for a system with
acetone as solvent. As i know, the SURFTEN = 0.0072 is used for
system with water as solvent. How can i find out the correct value
for SURFTEN for system containing acetone solvent? Also, for the
calculation for SASA, is the value of SASA correct if i use LCPO or
molsurf method for the calculation of acetone system?

Thank you in advance,

Shuting Wei

The AMBER Mail Reflector
To post, send mail to
To unsubscribe, send "unsubscribe amber" to