Dears, I would like to know if the details of how to add new post-processing features in Gromacs had been already discussed or described somewhere. I have in mind things like angle distribution, structure factor, and incoherent intermediate scattering function, to name a few, for glassy materials.
Does anyone know of a package that could compute those properties from a Gromacs trajectory files? Regards, Adama ________________________________________________________________________ Adama Tandia, Corning INC, SP-TD-01-01 Corning NY 14831 USA, Tel: 607 248 1036 -GoogleVoice: 708 433 9430 _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://lists.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 gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
