[gmx-users] reg PME usage

[Mark Abraham]

On 13/06/2011 4:51 PM, vidhya sankar wrote:
> Dear justin,
>                   Thank you for your previous reply.
>                   When i study the effect of ionic strength on stability
> Which Parameter of Electrostatics Should  i use? . If I use usual PME  
> Then will it interfere it with  result?.
>

It will have an effect. That effect will almost always be less bad than 
the effect of using a plain cut-off.

> Because My system has Non zero charge  I went through a Literature In 
> that They used The
> "Cut-off"  Coulomb Type But When I use the Same cut-off for my system 
> It showsartifacts
> warning
>

Then your literature is probably too old to be a sound reference point. 
Reproducing a method that was known at the time to have a flaw that has 
since been demonstrated to be serious will lead to referees rejecting 
your paper outright.

Mark
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