AMBER Archive (2005)

Subject: Re: AMBER: surface area

From: Tim Meyer (tim_at_mmb.pcb.ub.es)
Date: Mon Apr 04 2005 - 10:38:12 CDT

john,
amber' molsurf might not now vdw radii of some HETATMs and fail
i use as stand alone naccess http://wolf.bms.umist.ac.uk/naccess/

tim

>
> I want to calculate solvent accessible surface area for a range of small
> straight-chain alkanes (n-C4H10 to n-C8H18). Is the “molsurf” in Amber
> sufficient for such calculations or another program could be suggested?
>
>
>
> Thank you very much.
>
>
>
> Best wishes,
>
>
>
> John
>
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