[gmx-users] reg g_sas

Justin A. Lemkul jalemkul at vt.edu
Fri Aug 26 16:31:14 CEST 2011

vidhya sankar wrote:
> Dear justin ,
>                     Thank you for your previous reply.
>                             I would like to get only one value of 
> solvent Accessible area which may be average of all time frames instead 
> of .xvg files can i get it.

Averages, standard deviations, and other statistical quantities can be obtained 
with g_analyze.

> Also can i correlate pullf.xvg with Hydrophobic interaction . even i 
> watched Trajectories
> corresponding to peak and other time frame . can i correlate mode of 
> dissociation with hydrophobic inteaction and H-bonds

I've told you many times with regards to many different quantities (every time 
you've asked, over the last many months) - I have no clue what you're working on 
or what the nature of the interactions are.  I will not speculate or attempt to 
do your interpretation for you.  No one on this list will.  You have to base 
conclusions on the nature of your system(s) and how they behave.



Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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