Hi gmxions, I want to use charge information contained in itp file produced in gromacs for docking purpose (Autodock). Kindly share a script if anyone written to convert information content from gromacs protein's itp (for charge) and gro (coordinate) information to autodock pdbqs or pdbq formated one.
With thanks ! B.Nataraj -- raja [EMAIL PROTECTED] -- http://www.fastmail.fm - mmm... Fastmail... _______________________________________________ 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
