[AMBER] order params

From: Jio M <jiomm.yahoo.com>
Date: Fri, 17 Jan 2014 08:16:34 -0800 (PST)

Hi All

I am trying to simulate membranes and want to use Hannes Loeffler's ptraj_mod for analysis: http://www.stfc.ac.uk/CSE/randd/cbg/software/43740.aspx#use.dens

 ptraj_mod order parameter calculation give number of values like: SCD_H1, SCD_H2, SCD_z, SCD_xy

In GAFFLipid paper original paper: Soft Matter , 2012, 8, 9617-9627 for the order parameter which one is the value among these (SCD_H1, SCD_H2, SCD_z, SCD_xy). Is it average of (SCD_H1+SCD_H2)/2 or something else?

AMBER mailing list
Received on Fri Jan 17 2014 - 08:30:02 PST
Custom Search