Re: [gmx-users] residue IDs are not ordered in gro file.

BIN ZHANG wrote: Dear Justin: Thanks a lot for your reply. I indeed have missing residues in the second chain. However, when I try pdb2gmx -renum, it renumbers the second chain starting from 1, rather than starting from 817(Nres_1st+1). To get consecutive numbering, you may have to mer

Re: [gmx-users] residue IDs are not ordered in gro file.

Dear Justin: Thanks a lot for your reply. I indeed have missing residues in the second chain. However, when I try pdb2gmx -renum, it renumbers the second chain starting from 1, rather than starting from 817(Nres_1st+1). Thanks, Bin = 816VAL HG131

Re: [gmx-users] residue IDs are not ordered in gro file.

BIN ZHANG wrote: Hi, there: I found that in gromacs version 4.5.1, the residue ids are not ordered consecutively as before in the .gro file. For example, if I have two chains in the protein, then the residue ids will be ordered with respect to each individual chain, rather than reordered to

[gmx-users] residue IDs are not ordered in gro file.

Hi, there: I found that in gromacs version 4.5.1, the residue ids are not ordered consecutively as before in the .gro file. For example, if I have two chains in the protein, then the residue ids will be ordered with respect to each individual chain, rather than reordered to be a complete