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 _______________________________________________ gmx-users mailing list [email protected] http://www.gromacs.org/mailman/listinfo/gmx-users Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
