Re: [AMBER] is there any tutorial for membrane protein simulations for Amber 12?

From: Ross Walker <>
Date: Tue, 10 Apr 2012 09:42:48 -0700

> 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

|\oss Walker

| Assistant Research Professor |
| San Diego Supercomputer Center |
| Adjunct Assistant Professor |
| Dept. of Chemistry and Biochemistry |
| University of California San Diego |
| NVIDIA Fellow |
| | |
| Tel: +1 858 822 0854 | EMail:- |

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Received on Tue Apr 10 2012 - 10:00:03 PDT
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