Re: [gmx-users] R: gmx-users Digest, Vol 85, Issue 101

Hi Anna, You can also renumber the xvg file: awk 'BEGIN{N=1}/^[^@#]/{print N++, $2}' file.xvg > renum.xvg Hope it helps, Tsjerk On May 13, 2011 3:51 PM, "Anna Marabotti" wrote: Dear Mark, thank you also for your suggestion, indeed using the nvt.gro file with the sequential numbering I was a

[gmx-users] R: gmx-users Digest, Vol 85, Issue 101

Dear Mark, thank you also for your suggestion, indeed using the nvt.gro file with the sequential numbering I was able to distinguish the contributions from both chains, instead of seeing them superimposed. Now I have another question. I used pdb2gmx to prepare another file for simulation (it is the