[gmx-users] some question about REMD

Albert mailmd2011 at gmail.com
Wed Oct 17 20:46:17 CEST 2012


On 10/17/2012 08:43 PM, Justin Lemkul wrote:
> Here you're adding atom types, not the associated GB parameters.  Some 
> of these atom types probably already exist within the gbsa.itp file of 
> the force field, judging by their names.  At least one (OS) does not.
>
> -Justin 

thank you for kind comments.
What should I do for this issue? do you have any advices?

thanks a lot
Albert



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