3.3.1 and 3.3.2 IIRC in 3.1.4 it was ok
Marcos On Wed, 2007-10-31 at 18:34 +0100, Ran Friedman wrote: > Dear Marco, > > Which version? > > Ran. > > marcos wrote: > > Hi, > > > > editconf -mead writes a .pqr with a format "%10.5f%10.5f%10.5f" while it > > should be "%8.3f%8.3f%8.3f". > > Also the charges and radius are written in "%8.4f%8.4f" while the > > program pdb2pqr writes as "%8.4f%7.4f" > > > > I changed line 167 of pdbio.c from: > > strcpy(pdbform,"%-6s%5u %-4.4s %3.3s %c%4d %10.5f%10.5f%10.5f%8.4f% > > 8.4f\n"); > > > > to > > > > strcpy(pdbform,"%-6s%5u %-4.4s %3.3s %c%4d %8.3%8.3f%8.3f%8.4f%7.4f > > \n"); > > > > and the .pqr is now ok. Will this change affect other programs? > > > > Thanks, > > > > Marcos Villarreal > > > > > > _______________________________________________ > 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 _______________________________________________ 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