On 06/16/2012 08:17 PM, Benjamin D Madej wrote:
> Hello Tales,
>
> In our MD simulations with Lipid11, DOPC does much better than DPPC. Although the carbons with saturated bonds are still too ordered, the overall intrinsic disorder of the bilayer tails is maintained in the final DOPC structure.
>
> The saturated acyl tails, in general in Lipid11, are too highly ordered.
>
> Like I said in my previous email, increasing the cutoff did not significantly impact this issue.
>
> We're currently refining new parameters to address this for the next release of the lipid force field.
>
> Ben Madej
> Walker Molecular Dynamics Lab
hello Ben:
DO you have any idea when it can be released for this new version?
Two months?
thx
Albert
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Received on Sat Jun 16 2012 - 12:30:02 PDT
