Re: [gmx-users] gromos96 atomic radii

2007-08-29 Thread Tsjerk Wassenaar
Hi Pascal, I found this entry in the mailing list archives: http://www.gromacs.org/pipermail/gmx-users/2006-August/023554.html Not only is it good practice to browse the archives when asking a question, but it also helps to keep track of question you asked and the answers you got. Or am I missin

[gmx-users] gromos96 atomic radii

2007-08-29 Thread pascal . baillod
Hi! I use "editconf -mead" to generate pqr files for APBS calculations. I was checking the atomic radii and charges I obtain. The charges correspond to those listed in my topology file, but I cannot find from which force field file the atomic radii of the pqr were read, or how they were computed,