On Mon, Apr 13, 2015 at 1:23 PM, Carlos Romero <carlos.rom.74he.gmail.com>
wrote:
> I am using TIP3PBOX.
>
> I will see the manual. Thanks
>
> In this moment minimization is running. Until now all looks ok.
>
If you are using TIP3P, then you need to switch to
frcmod.ionslcrm_cm_tip3p (rather than the SPCE variant). Not doing so will
not make your simulation fail, but you will be using suboptimal parameters.
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Mon Apr 13 2015 - 10:30:10 PDT
