Hello, gmx-users, when calculaing the spatial distribution functions using gromacs3.3.3, i always get distorted reference molecule and it is far away from the isosurface when my reference molecule has more than 3 atoms, and none of the atoms are at the oringin. the g_sdf program in gromacs3.3.3 seems problematic, and how shall i change the code?
Regards! Rongliang Wu [EMAIL PROTECTED] 2008-07-30
_______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! 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