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

Frankie Montenegro frankie.montenegro at gmail.com
Wed Sep 12 02:05:37 CEST 2007


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?

Thanks for your help  .



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