[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
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Peter C. Lai | University of Alabama-Birmingham
Programmer/Analyst | KAUL 752A
Genetics, Div. of Research | 705 South 20th Street
pcl at uab.edu | Birmingham AL 35294-4461
(205) 690-0808 |
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