[gmx-users] pdb files using hex resid

2012-01-03 Thread Peter C. Lai
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 , 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

Re: [gmx-users] pdb files using hex resid

2012-01-03 Thread Mark Abraham
On 4/01/2012 12:30 PM, Peter C. Lai wrote: 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 , it numbered the remaining residues in the PDB in 4 bit hex. Editconf will not convert the hex numbered residue ids back to

Re: [gmx-users] pdb files using hex resid

2012-01-03 Thread Peter C. Lai
On 2012-01-04 12:46:09PM +1100, Mark Abraham wrote: On 4/01/2012 12:30 PM, Peter C. Lai wrote: 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 , it numbered the remaining residues in the PDB in 4 bit hex.

Re: [gmx-users] pdb files using hex resid

2012-01-03 Thread Mark Abraham
On 4/01/2012 1:07 PM, Peter C. Lai wrote: On 2012-01-04 12:46:09PM +1100, Mark Abraham wrote: On 4/01/2012 12:30 PM, Peter C. Lai wrote: 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 , it numbered the remaining

Re: [gmx-users] pdb files using hex resid

2012-01-03 Thread Peter C. Lai
On 2012-01-04 01:21:01PM +1100, Mark Abraham wrote: On 4/01/2012 1:07 PM, Peter C. Lai wrote: On 2012-01-04 12:46:09PM +1100, Mark Abraham wrote: On 4/01/2012 12:30 PM, Peter C. Lai wrote: I used VMD to process a gro file and wrote it to pdb, because VMD can't write gro files. Because

Re: [gmx-users] pdb files using hex resid

2012-01-03 Thread Mark Abraham
On 4/01/2012 2:19 PM, Peter C. Lai wrote: On 2012-01-04 01:21:01PM +1100, Mark Abraham wrote: On 4/01/2012 1:07 PM, Peter C. Lai wrote: On 2012-01-04 12:46:09PM +1100, Mark Abraham wrote: On 4/01/2012 12:30 PM, Peter C. Lai wrote: I used VMD to process a gro file and wrote it to pdb, because

Re: [gmx-users] pdb files using hex resid

2012-01-03 Thread Peter C. Lai
On 2012-01-04 02:54:28PM +1100, Mark Abraham wrote: On 4/01/2012 2:19 PM, Peter C. Lai wrote: On 2012-01-04 01:21:01PM +1100, Mark Abraham wrote: On 4/01/2012 1:07 PM, Peter C. Lai wrote: On 2012-01-04 12:46:09PM +1100, Mark Abraham wrote: On 4/01/2012 12:30 PM, Peter C. Lai wrote: I

Re: [gmx-users] pdb files using hex resid

2012-01-03 Thread Mark Abraham
On 4/01/2012 2:59 PM, Peter C. Lai wrote: On 2012-01-04 02:54:28PM +1100, Mark Abraham wrote: On 4/01/2012 2:19 PM, Peter C. Lai wrote: On 2012-01-04 01:21:01PM +1100, Mark Abraham wrote: On 4/01/2012 1:07 PM, Peter C. Lai wrote: On 2012-01-04 12:46:09PM +1100, Mark Abraham wrote: On