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 missing something here? Was this second question of fundamental different nature than the one you asked last year? For a moment I suspected a problem with the mail server, but the wording seems to be different... Tsjerk On 8/29/07, [EMAIL PROTECTED] <[EMAIL PROTECTED]> wrote: > > 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, or any > information > describing how they are defined (since they differ from the vdw radii). Any > info > on their origin would be most welcome! > > Thanks in advance! > > Pascal > > > ******************************************************************************* > Pascal Baillod (PhD student) > ******************************************************************************* > Swiss Federal Institute of Technology EPFL Tel: > +41-(0)21-693-0322 > Institute of Chemical Sciences and Engineering , Fax: > +41-(0)21-693-0320 > Laboratory of Computational Chemistry and Biochemistry [EMAIL PROTECTED] > Room BCH 4121, Avenue Forel, > http://lcbcpc21.epfl.ch > CH-1015 Lausanne > ******************************************************************************* > _______________________________________________ > 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 > -- Tsjerk A. Wassenaar, Ph.D. Junior UD (post-doc) Biomolecular NMR, Bijvoet Center Utrecht University Padualaan 8 3584 CH Utrecht The Netherlands P: +31-30-2539931 F: +31-30-2537623 _______________________________________________ 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