Hi Vlad:
nice to hear your comments.
However, as far as I know this new FF will probably need NPgarmaT
instead of NPT, since it will require surface tension like the GAFF for
lipds.
Albert
On 05/11/2012 04:14 PM, Vlad Cojocaru wrote:
> Having said that, I think it would be great to see how well the new ff
> reproduces lipid properties in the NPT ensemble ... I would rather wait
> for this before blindly starting lots of simulations with the new ff ...
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Received on Fri May 11 2012 - 07:30:04 PDT
