[gmx-users] Query about g_mindist

Hi all, I have a query about computing the number of native contacts formed between a carbon nanotube and a RNA by g_mindist utility with the -d option. The command I tried was g_mindist -f md.xtc -s md.tpr -od dist.xvg -on numcount.xvg -d 0.5 and when prompted I selected CNT and DNA as

Re: [gmx-users] temperatures of residues

Dear Justin, Thanks for your reply. Would you please help me how I can correct my calculated temperature for constraints I used? In my mdp file I used lincs constraint for all bonds in NVE ensemble. I used GROMOS forcefield to simulate Lysozyme protein. Bests, Mohyeddin On Sat, Jan 16, 2016 at

Re: [gmx-users] Query about g_mindist

Hi Soumadwip, > Is it calculating multiple contacts between one atom > from CNT and whichever atoms of RNA in between 5 > Angstrom yes. Cheers, Tsjerk -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! *