[gmx-users] editconf -mead

[marcos]

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