[gmx-users] g_sdf for Gromacs 3.3 or any other tool for Spatial Distributions .

[Maxim Fedorov]

Dear all,

Does anybody have the g_sdf ported for GROMACS 3.3 ?

The g_sdf is a program for calculations of Spatial Distribution
Functions (SDFs). 
It is not from the official distribution - it is written by Christoph
Freudenberger whom I am not able to find (his old e-mail is expired).

I've got the code from Dallas Warren (thanks, Dallas!) - but it uses an
old version of pbc_dx function with 3 input parameters (now the pbc_dx
uses 4 input parameters).

I wouldn't mind to recompile this program with an old version of Gromacs
- but I am going to analyse plenty of trajectories and topologies
obtained with 3.3. version.

So, I afraid of possible incompatibilities, bugs etc. There is always
another option - correct the code by myself, but ...

May be somebody has already ported the g_sdf for 3.3 or has another tool
for calculations of SDFs?

With kindest regards,

Maxim.


Maxim V. Fedorov