[gmx-users] position and distance restrain

[Justin A. Lemkul]

Pathumwadee Intharathep wrote:
> Dear  gmx-user,
>  
> Do I define position and distance restrain simulteneusly?
> my md.mdp has set as below
> but it works only for position restrain.

Right, because multiple instances of the same parameter get discarded.  Combine 
both define statements on one line:

define = -DPOSRES -DDISRES

-Justin

>  
> title               = M2_amand in POPC
> cpp                 =  /lib/cpp
> define              =  -DPOSRES
> define              =  -DDISRES
> constraints         =  all-bonds
> disre               =  simple
> integrator          =  md
> thanks in advance
>  
> pathum
> 
> 
> 
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-- 
========================================

Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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