> As a quick follow-up question to this discussion (since the publication
> is
> not yet out and I can't find this detail in the manual): does the new
> lipid11 forcefield get things right without the need for constant
> surface
> tension modifications? My understanding has been that at the moment
> only
> the CHARMM36 forcefield can be used with lipids without this rather
> suspect
> modification and still get the right densities, but I'm hoping that
> Lipid11
> also has this property.
No, for now you need to use the constant surface tension option. We have a
solution that will form an update to the force field (Lipid12???) once we
have a chance to test it properly.
All the best
Ross
/\
\/
|\oss Walker
---------------------------------------------------------
| Assistant Research Professor |
| San Diego Supercomputer Center |
| Adjunct Assistant Professor |
| Dept. of Chemistry and Biochemistry |
| University of California San Diego |
| NVIDIA Fellow |
|
http://www.rosswalker.co.uk |
http://www.wmd-lab.org/ |
| Tel: +1 858 822 0854 | EMail:- ross.rosswalker.co.uk |
---------------------------------------------------------
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Received on Tue Apr 10 2012 - 10:00:03 PDT
