[gmx-users] pdb files using hex resid

Peter C. Lai pcl at uab.edu
Wed Jan 4 02:30:43 CET 2012

I used VMD to process a gro file and wrote it to pdb, because VMD can't
write gro files.  Because the # of residues exceeds 9999, it numbered the 
remaining residues in the PDB in 4 bit hex. Editconf will not convert the 
hex numbered residue ids back to decimal (it just truncates anything past 
the final 0-9 digit in the field). Does this mean if I feed the pdb as-is 
into grompp it will also have problems reading the residue numbers?

Gromacs 4.5.3

Peter C. Lai			| University of Alabama-Birmingham
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