[gmx-users] reg pullf.xvg

[Justin A. Lemkul]

vidhya sankar wrote:
> Dear Justin, Thank  you fro your previous reply
>                 
>                In SMD c an i Compare Profiles (curves) of  pullf.xvg 
> with hydrophobic and Hydrophilic  interaction  Is there is any relation ? 
> it means  will pulling force vary with respect to  nature of interaction 
> between pulling group and fixed group in SMD? Kindly explain
> 

The only way to answer this question is to watch the trajectories.  You cannot 
blindly compare two force-time curves and necessarily expect any relation 
between different systems.  The forces that evolve are path-dependent, so you 
have to watch the trajectories to see what interactions are broken as the 
pulling force is applied.

-Justin

-- 
========================================

Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

========================================