Re: [gmx-users] error in running g_dist

Use gmxcheck to find out what's in the files. Think about how you used xtcgroups. Consider using tpbconv to make a matching subset from your .tpr. Mark On Wed, May 22, 2013 at 11:53 AM, Arunima Shilpi wrote: > Respected sir > > I want to calculate the distance between protein and ligand after I

[gmx-users] error in running g_dist

Respected sir I want to calculate the distance between protein and ligand after I have run the production step. I used the following command.. g_dist -s md_0_1.tpr -f md_0_1.xtc -o dist.xvg -n index.ndx Groups I selected was Group 1 (protein) Group 13 (ligand) It says the following error Mole