[gmx-users] Surface Accessible Volume with g_sas: possible or not?

[David van der Spoel]

Frankie Montenegro wrote:
> Hi guys,
> 
> I am trying to compute molecular volume for protein. I found this when
> searching the user's list:
> 
> 
> :This following excerpt was on the gmx-revision list in July. You
> probably need the CVS version of 3.3 to take advantage of this option:
> I've used it myself, with that version. Seems to work fine.
> 
>> Added a new option to g_sas in order to compute the volume and density
>> of a sample. The volume was already computed by the double-cube lattice
>> method but we never used the result. Option is -tv.
>> --
>> David.
> 
> 
> I am running 3.3.1 and this option gives me an error. Also I can't
> find anything in man pages or the manual. Does that mean that the
> volume lcalculation is removed from the code or moved to another
> subprogram or something?


on the contrary it is not in 3.3.1 but will be in 3.3.2.

> 
> Thanks for your help  .
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-- 
David van der Spoel, Ph.D.
Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205. Fax: +4618511755.
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se