Shuangxing Dai wrote: > Hi, all, > I need more digits to input information. But the default format of > pdb file for coordinate is %8.3f. Can I modify the pdbio.c file to > achive this goal? Or is there any other direct ways to input more digits > coordinate information in Gromacs?
Use a .g96 file for input. Virtually all GROMACS tools accept many possible formats when a coordinate file is required. Mark _______________________________________________ gmx-users mailing list [email protected] http://lists.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
